SCHEMBL9725006

SCHEMBL9725006

Cc1cc(C)c2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
NQO2 P16083 2/20 0.39
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
HBB P68871 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 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
SCHEMBL5573226 0.82 FFAR4 (0.40) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL11926949 0.80 ALDH1A1 (0.35) ALDH1A1CYP3A4NQO2ATMCYP19A1
SCHEMBL15984238 0.79 NQO2 (0.40) ALDH1A1CYP3A4NQO2ATMCYP19A1
SCHEMBL12484333 0.78 NPC1 (0.37) ALDH1A1CYP3A4NQO2CYP19A1KMT2A
SCHEMBL14337778 0.78 NQO2 (0.37) ALDH1A1CYP3A4NQO2CYP19A1KMT2A
SCHEMBL14363137 0.78 SELL (0.41) ALDH1A1CYP3A4NQO2ATMCYP19A1
SCHEMBL4492232 0.78 MAPT (0.35) ALDH1A1CYP3A4NQO2CYP19A1KMT2A
SCHEMBL12553089 0.78 NPC1 (0.36) ALDH1A1CYP3A4NQO2CYP19A1KMT2A
SCHEMBL21369363 0.78 NQO2 (0.37) ALDH1A1CYP3A4NQO2CYP19A1SMN1; SMN2
SCHEMBL10054020 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4NQO2CYP19A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
WO-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed
US-20210230164-A1 IMIDAXOPYROLONE COMPOUND AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2021-07-29 US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
WO-2013029548-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-07 WO disclosed
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
US-5082848-A Gastrointestinal disorders SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1992-01-21 US disclosed
EP-0331357-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-06 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 (7 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-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB ALDH1A1 1284/4885CYP3A4 249/4885NQO2 982/4885
US-20210230164-A1 IMIDAXOPYROLONE COMPOUND AND APPLICATION THEREOF TP53, MDM2, TP53BP1 ALDH1A1 479/4885CYP3A4 881/4885NQO2 385/4885
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors TP53, MDM2, TP53BP1 ALDH1A1 549/4885CYP3A4 802/4885NQO2 280/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ALDH1A1 1374/4885CYP3A4 219/4885NQO2 2607/4885
US-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH ALDH1A1 277/4885CYP3A4 374/4885NQO2 1433/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885CYP3A4 4235/4885NQO2 2568/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 ALDH1A1 1938/4885CYP3A4 430/4885NQO2 1614/4885

“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.