SCHEMBL14616633

SCHEMBL14616633

Cn1nc(O)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PKM P14618 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL1241627 0.80 PKM (0.47) KDM4EALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL17173647 0.77 KDM4E (0.33) KDM4EGRNSORT1MAPTSMN1; SMN2
SCHEMBL10473323 0.77 PKM (0.35) ALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL23403157 0.76 ALDH1A1 (0.32) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL427520 0.74 SMN1; SMN2 (0.37) KDM4EGRNSORT1ALDH1A1CYP1A2
SCHEMBL821308 0.74 KDM4E (0.52) KDM4EGRNSORT1MAPTCNR2
SCHEMBL23400465 0.74 CNR1 (0.51) CNR1CNR2
SCHEMBL17173646 0.73 KDM4E (0.33) KDM4EGRNSORT1
SCHEMBL21719452 0.73 KDM4E (0.33) KDM4EGRNSORT1
SCHEMBL21718549 0.73 KDM4E (0.33) KDM4EGRNSORT1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
US-11130772-B2 CYP-eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN 2021-09-28 US disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-10973805-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators Fulcrum Therapeutics, Inc. (US) 2021-04-13 US disclosed
US-9777024-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2017-10-03 US disclosed
US-9670150-B2 (2-ureidoacetamido)alkyl derivatives as formyl peptide receptor 2 modulators ALLERGAN, INC. (US) 2017-06-06 US disclosed
US-20170008918-A1 NOVEL CYP-EICOSANOID DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-01-12 US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 US disclosed
US-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 US disclosed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 US disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 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-10973805-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators EED, EZH2, BMI1 KDM4E 88/4885GRN 4652/4885SORT1 4629/4885
US-20170008918-A1 NOVEL CYP-EICOSANOID DERIVATIVES CYP4F3, ALOX5, CYP4A11 KDM4E 3004/4885GRN 4447/4885SORT1 3639/4885
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 KDM4E 1138/4885GRN 1394/4885SORT1 4061/4885
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 1574/4885GRN 4478/4885SORT1 4096/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 KDM4E 410/4885GRN 4607/4885SORT1 4696/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 1574/4885GRN 4478/4885SORT1 4096/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C KDM4E 1574/4885GRN 4478/4885SORT1 4096/4885
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV CCR5, CD4, HAVCR2 KDM4E 2128/4885GRN 737/4885SORT1 2266/4885
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV AZI2, TPMT, INMT KDM4E 199/4885GRN 1881/4885SORT1 4215/4885
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV MAVS, CCR5, NFATC1 KDM4E 1767/4885GRN 3152/4885SORT1 4417/4885
US-11130772-B2 CYP-eicosanoid derivatives CYP4F3, CYP4A11, CYP1A2 KDM4E 2677/4885GRN 4367/4885SORT1 3485/4885

“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.