SCHEMBL6177928

SCHEMBL6177928

Cc1ccc2ccc(C=O)nc2c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.65
ALDH1A1 P00352 5/20 0.39
MAPT P10636 6/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PFKFB3 Q16875 1/20 0.34
RAB9A P51151 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CCR5 P51681 1/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 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
SCHEMBL13740612 0.81 CCR1 (0.61) CCR1ALDH1A1MEN1KMT2APFKFB3
SCHEMBL12715713 0.81 CCR1 (0.61) CCR1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL1088335 0.80 CCR1 (1.00) CCR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6176904 0.78 CCR1 (0.63) CCR1ALDH1A1MAPTKDM4ETSHR
SCHEMBL28491343 0.77 CCR1 (0.55) CCR1ALDH1A1MEN1KMT2APFKFB3
SCHEMBL6176944 0.76 CCR1 (0.54) CCR1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL13737374 0.74 CCR1 (0.52) CCR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6629423 0.74 CCR1 (0.50) CCR1ALDH1A1MAPTTSHRCYP2A6
SCHEMBL31596100 0.72 CCR1 (0.53) CCR1ALDH1A1MAPTKDM4ETSHR
SCHEMBL13737932 0.72 CCR1 (0.53) CCR1ALDH1A1KDM4EMAPK1PFKFB3

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 307/4885ALDH1A1 44/4885MAPT 4687/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 319/4885ALDH1A1 37/4885MAPT 4651/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 319/4885ALDH1A1 37/4885MAPT 4651/4885

“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.