SCHEMBL11954971

SCHEMBL11954971

CC(C)(C)Cc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
NCF1 P14598 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FERMT2 Q96AC1 1/20 0.41
NR3C1 P04150 2/20 0.41
MAPT P10636 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
PDE10A Q9Y233 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17659980 0.87 MAPT (0.48) LOXL2CYP3A4HIF1AKDM4EALDH1A1
SCHEMBL23496972 0.85 LOXL2 (0.55) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL6703259 0.81 LOXL2 (0.59) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL22955389 0.81 LOXL2 (0.40) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL28157122 0.81 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL21849303 0.80 LOXL2 (0.37) LOXL2AAK1
SCHEMBL6017487 0.80 NR3C1 (0.49) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL12776083 0.79 NPC1 (0.36) LOXL2KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL12251101 0.79 LOXL2 (0.51) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL28292734 0.79 LOXL2 (0.47) LOXL2NCF1HTR1AADRA1DADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-29 US disclosed
US-10828288-B2 Hydrazone derivatives for the treatment of cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-10 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-10729671-B2 Zinc complexes of hydrazones and (thio)semicarbazones and their use for the treatment of cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-08-04 US disclosed
US-10450293-B2 Chemokine CXCR4 and CCR5 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2019-10-22 US disclosed
US-20180171190-A1 FORMULATIONS AND APPLICATIONS OF WET-ADHESIVES ACatechol, Inc. (US) 2018-06-21 US disclosed
US-20170137401-A1 Chemokine CXCR4 and CCR5 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY (US) 2017-05-18 US disclosed
US-20170137401-A1 Chemokine CXCR4 and CCR5 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY (US) 2017-05-18 US disclosed
US-20170096415-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS UNIV YALE (US) 2017-04-06 US disclosed
US-9562038-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2017-02-07 US disclosed
US-8980848-B2 Flavonoid dimers and their use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2015-03-17 US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20130045935-A1 FLAVONOID DIMERS AND THEIR USE THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2013-02-21 US disclosed
US-20130045935-A1 FLAVONOID DIMERS AND THEIR USE THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2013-02-21 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10729671-B2 Zinc complexes of hydrazones and (thio)semicarbazones and their use for the treatment of cancer SLC39A3, SLC39A7, SLC30A7 LOXL2 2587/4885NCF1 791/4885HTR1A 4726/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 LOXL2 1686/4885NCF1 441/4885HTR1A 2852/4885
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS LOXL2 2593/4885NCF1 1273/4885HTR1A 4839/4885
US-20130045935-A1 FLAVONOID DIMERS AND THEIR USE DHFR, CCNY, ETFB LOXL2 2536/4885NCF1 707/4885HTR1A 4287/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 LOXL2 3550/4885NCF1 2986/4885HTR1A 2622/4885
US-10450293-B2 Chemokine CXCR4 and CCR5 receptor modulators and uses related thereto CXCR4, CCR5, CXCR3 LOXL2 1843/4885NCF1 1667/4885HTR1A 1327/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 LOXL2 4821/4885NCF1 1949/4885HTR1A 27/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS LOXL2 2593/4885NCF1 1273/4885HTR1A 4839/4885
US-20170096415-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 LOXL2 3329/4885NCF1 440/4885HTR1A 3842/4885
US-20170137401-A1 Chemokine CXCR4 and CCR5 Receptor Modulators and Uses Related Thereto CXCR4, CCR5, CXCR3 LOXL2 1843/4885NCF1 1667/4885HTR1A 1327/4885
US-10828288-B2 Hydrazone derivatives for the treatment of cancer H1-3, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 LOXL2 2269/4885NCF1 919/4885HTR1A 1567/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.