SCHEMBL15782890

SCHEMBL15782890

Cc1ccc(-c2cc(C)nc(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
ACHE P22303 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL21880900 0.92 ADORA2A (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13483701 0.88 MEN1 (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1990834 0.83 POLB (0.45) ALDH1A1MEN1KMT2ARAB9ATSHR
SCHEMBL27430949 0.82 ADORA2A (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19531805 0.81 NOS3 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11251251 0.80 ESR1 (0.59) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL20634821 0.80 ADORA2A (0.36) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6912832 0.80 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19537425 0.80 ADORA2A (0.56) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19288252 0.80 ACHE (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
WO-2021082714-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-05-06 WO disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-9597310-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-9597310-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-20160235706-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-18 US disclosed
US-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 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 (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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885ALDH1A1 476/4885SMN1; SMN2 1294/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B KDM4E 14/4885ALDH1A1 1228/4885SMN1; SMN2 2278/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885ALDH1A1 476/4885SMN1; SMN2 1294/4885
US-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 KDM4E 3625/4885ALDH1A1 341/4885SMN1; SMN2 4383/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM4E 2522/4885ALDH1A1 476/4885SMN1; SMN2 1294/4885
US-20160235706-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 KDM4E 3625/4885ALDH1A1 341/4885SMN1; SMN2 4383/4885

“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.