SCHEMBL855207

SCHEMBL855207

COc1c(OCc2ccccc2)ccc(C(=O)O)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
FOLH1 Q04609 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RXRA P19793 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PTGER1 P34995 1/20 0.47
HPGD P15428 1/20 0.47
MCL1 Q07820 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
SMPD1 P17405 1/20 0.46

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
SCHEMBL28428922 0.89 HPGD (0.49) CTSVCTSLSMN1; SMN2L3MBTL1MAPT
SCHEMBL22183769 0.87 NPC1 (0.48) CTSVCTSLSMN1; SMN2L3MBTL1MAPT
SCHEMBL31679002 0.87 NPC1 (0.48) CTSVCTSLSMN1; SMN2L3MBTL1MAPT
SCHEMBL14882633 0.86 CTSV (0.53) CTSVCTSLFOLH1SMN1; SMN2L3MBTL1
SCHEMBL22183778 0.85 BRD4 (0.51) SMN1; SMN2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL5467535 0.84 PTGER1 (0.58) CTSVCTSLFOLH1SMN1; SMN2L3MBTL1
SCHEMBL24379172 0.83 CTSV (0.51) CTSVCTSLFOLH1SMN1; SMN2L3MBTL1
SCHEMBL29179263 0.83 MRGPRX4 (0.52) CTSVCTSLFOLH1SMN1; SMN2L3MBTL1
SCHEMBL3245118 0.82 CTSV (0.50) CTSVCTSLFOLH1SMN1; SMN2L3MBTL1
SCHEMBL9348563 0.81 MAPT (0.47) MAPTTDP1MRGPRX4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO claimed
US-12404269-B2 Aminoquinazolinone and aminoisoquinolinone derivatives and application thereof ZHEJIANG UNIVERSITY (CN) 2025-09-02 US disclosed
US-20220017505-A1 AMINOQUINAZOLINONE AND AMINOISOQUINOLINONE DERIVATIVES AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-01-20 US disclosed
EP-3904343-A1 AMINO QUINAZOLINONE, AMINO ISOQUINOLONE DERIVATIVES AND APPLICATION THEREOF Zhejiang University (CN) 2021-11-03 EP disclosed
CN-109516961-B Aminoquinazolinone and aminoisoquinolinone derivatives and uses thereof 浙江大学 2021-01-01 CN disclosed
WO-2020134921-A1 AMINO QUINAZOLINONE, AMINO ISOQUINOLONE DERIVATIVES AND APPLICATION THEREOF 浙江大学 2020-07-02 WO disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-5296602-A Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-03-22 US disclosed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 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 (5 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA CTSV 3643/4885CTSL 3420/4885FOLH1 4454/4885
US-12404269-B2 Aminoquinazolinone and aminoisoquinolinone derivatives and application thereof PIK3R5, PIK3CA, PIK3R1 CTSV 4210/4885CTSL 4141/4885FOLH1 4384/4885
US-20220017505-A1 AMINOQUINAZOLINONE AND AMINOISOQUINOLINONE DERIVATIVES AND APPLICATION THEREOF PIK3R5, PIK3CA, PIK3R1 CTSV 4210/4885CTSL 4141/4885FOLH1 4384/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA CTSV 3643/4885CTSL 3469/4885FOLH1 4444/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA CTSV 3788/4885CTSL 3235/4885FOLH1 4299/4885

“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.