SCHEMBL3604258

SCHEMBL3604258

Cc1cc(C=O)c(C)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.61
POLB P06746 4/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
CTDSP1 Q9GZU7 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
APEX1 P27695 2/20 0.59
ALDH1A1 P00352 10/20 0.56
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 5/20 0.49
CYP1A2 P05177 2/20 0.49
HPGD P15428 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.48
XBP1 P17861 1/20 0.48
RAB9A P51151 1/20 0.48
CASP6 P55212 2/20 0.47
NSD2 O96028 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL13568574 0.84 NR1H4 (0.58) POLBL3MBTL1CTDSP1TDP1APEX1
SCHEMBL12222500 0.80 POLB (0.67) NOTUMPOLBL3MBTL1CTDSP1TDP1
SCHEMBL13471704 0.80 NOTUM (0.65) NOTUMPOLBL3MBTL1ALDH1A1LMNA
SCHEMBL13754330 0.78 NOTUM (0.63) NOTUMPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL645648 0.78 POLB (0.68) NOTUMPOLBL3MBTL1CTDSP1TDP1
SCHEMBL14154502 0.77 NOTUM (0.60) NOTUMPOLBALDH1A1LMNAMAPT
SCHEMBL6315486 0.76 NOTUM (0.59) NOTUMPOLBL3MBTL1TDP1ALDH1A1
SCHEMBL3102569 0.74 CYP1A2 (0.43) NOTUMPOLBL3MBTL1ALDH1A1MAPT
SCHEMBL15331958 0.74 POLB (1.00) POLBL3MBTL1CTDSP1TDP1APEX1
SCHEMBL11622218 0.73 NOTUM (0.56) NOTUMPOLBTDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612598-B2 Compounds and methods for the treatment of cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-03-28 US disclosed
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
US-10456379-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-10-29 US disclosed
EP-1893210-B1 SELECTIVE APOPTOTIC INDUCTION IN CANCER CELLS INCLUDING ACTIVATION OF PROCASPASE-3 UNIV ILLINOIS (US) 2019-10-02 EP disclosed
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-07-04 US disclosed
US-10322110-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-06-18 US disclosed
US-10314820-B2 Imidazole-based heterocyclic compounds PROCOMCURE BIOTECH GMBH (AT) 2019-06-11 US disclosed
US-10166229-B2 Compounds and methods for the treatment of cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-01-01 US disclosed
EP-3148997-B1 HELQUATS WITH HETEROAROMATIC SUBSTITUENTS, PREPARATION THEREOF, AND USE THEREOF AS G-QUADRUPLEX STABILIZERS USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2018-06-27 EP disclosed
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
EP-1653954-A1 ANTIBIOTIC THIAZOLIDINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-05-10 EP disclosed
CN-1671386-A Substituted anilinic piperidines as MCH selective antagonists LUNDBECK & CO AS H (DK) 2005-09-21 CN disclosed
CN-1607202-A Novel antibiotic compounds, pharmaceutical compositions containing them and their use JEAN-PAUL LEONETTI (FR) 2005-04-20 CN disclosed
WO-2005020990-A1 ANTIBIOTIC THIAZOLIDINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-03-10 WO disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 WO 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 (6 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-10456379-B2 Imidazole-based antimicrobial agents TLR5, NISCH, SLC11A2 NOTUM 2202/4885POLB 1637/4885L3MBTL1 2175/4885
US-10166229-B2 Compounds and methods for the treatment of cancer CASP3, CASP6, CASP5 NOTUM 1441/4885POLB 1547/4885L3MBTL1 869/4885
US-10322110-B2 Imidazole-based antimicrobial agents ARG1, SLC11A2, IKZF3 NOTUM 3558/4885POLB 3215/4885L3MBTL1 1528/4885
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER CASP3, BAX, CASP6 NOTUM 1311/4885POLB 1306/4885L3MBTL1 1616/4885
US-11612598-B2 Compounds and methods for the treatment of cancer CASP3, BAX, CASP6 NOTUM 1311/4885POLB 1306/4885L3MBTL1 1616/4885
US-10314820-B2 Imidazole-based heterocyclic compounds MIF, SLC11A2, TLR5 NOTUM 1984/4885POLB 1569/4885L3MBTL1 4084/4885

“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.