SCHEMBL6176944

SCHEMBL6176944

Cc1ccc(C)c2nc(C=O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.54
GAA P10253 4/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.40
OPRK1 P41145 1/20 0.40
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
KDM4E B2RXH2 6/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
RAB9A P51151 2/20 0.34
ELANE P08246 2/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL6175331 0.83 CCR1 (0.44) CCR1GAAMAPK1ALDH1A1ELANE
SCHEMBL1781881 0.78 GAA (0.69) CCR1GAAMAPK1KMT2AOPRK1
SCHEMBL6177928 0.76 CCR1 (0.65) CCR1GAAMAPK1KMT2ACCR5
SCHEMBL6176904 0.74 CCR1 (0.63) CCR1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6629423 0.74 CCR1 (0.50) CCR1MAPTALDH1A1TSHR
SCHEMBL29952948 0.73 MAPT (0.47) CCR1GAAKDM4EMAPTALDH1A1
SCHEMBL12715713 0.73 CCR1 (0.61) CCR1GAAMAPK1KMT2ACCR5
SCHEMBL21320259 0.72 CCR1 (0.43) CCR1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL19618093 0.72 KMT2A (0.47) CCR1GAAKMT2AOPRK1CCR5
SCHEMBL31186674 0.72 KMT2A (0.69) CCR1GAAMAPK1KMT2AOPRK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559709-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same Eisai Co., Ltd. (JP) 2005-08-03 EP disclosed
EP-0838453-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-04-27 EP disclosed
US-6884808-B2 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. (JP) 2005-04-26 US disclosed
US-6630463-B2 Such as 4-(4-(2-(2-(5,6,7,8-tetrahydro-5,5,8,8 -tetramethylquinoxalyl))pyrrolyl))benzoic acid; for treatment of acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-10-07 US disclosed
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2003-07-31 US disclosed
US-6541474-B2 Administering a pharmaceutically effective dose of the heterocycle-containing carboxylic acid derivative or salt to a patient suffering form acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-04-01 US disclosed
US-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-08-01 US disclosed
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-03-14 US disclosed
US-6329402-B1 FOR THERAPY OF ACUTE PROMYELOCYTIC LEUKEMIA EISAI CO., LTD. (JP) 2001-12-11 US disclosed
US-5977108-A LEUKEMIA EISAI CO., LTD (JP) 1999-11-02 US disclosed
EP-0838453-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 1998-04-29 EP 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 (3 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-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 307/4885GAA 978/4885MAPK1 1823/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 319/4885GAA 1001/4885MAPK1 2157/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 319/4885GAA 1001/4885MAPK1 2157/4885

“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.