SCHEMBL7533561

SCHEMBL7533561

O=C(O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
LMNA P02545 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
EGFR P00533 8/20 0.67
PIK3CA P42336 8/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPT P10636 1/20 0.67
DAO P14920 1/20 0.67
HPGD P15428 1/20 0.67
SRD5A2 P31213 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
IDO1 P14902 1/20 0.59
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
PIN1 Q13526 1/20 0.58
NHERF1 O14745 2/20 0.57
PYGL P06737 1/20 0.57

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
SCHEMBL10466165 0.90 MAOA (0.71) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL5818325 0.87 NPC1 (0.75) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL468970 0.86 MAOB (0.74) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL8205048 0.86 NHERF1 (0.64) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL8205586 0.86 NHERF1 (0.68) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7208136 0.85 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL29475123 0.85 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL5897662 0.85 NHERF1 (0.56) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL6323639 0.85 KDM4E (0.73) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL7463929 0.84 MEN1 (0.64) NPC1RAB9ALMNASMN1; SMN2EGFR

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
EP-2830614-B1 CYCLIC PRODRUGS OF DUOCARMYCIN ANALOGS SCRIPPS RESEARCH INST (US) 2017-04-26 EP disclosed
US-9586974-B2 Cyclic N-acyl O-amino phenol CBI derivative THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
US-20160016972-A1 Cyclic N-Acyl O-Amino Phenol CBI Derivative NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 US disclosed
US-9139596-B2 Cyclic prodrugs of duocarmycin analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-22 US disclosed
US-20150057270-A1 CYCLIC PRODRUGS OF DUOCARMYCIN ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
WO-2014160586-A1 CYCLIC N-ACYL O-AMINO PHENOL CBI DERIVATIVE THE SCRIPPS RESEARCH LINSTITUTE (US) 2014-10-02 WO disclosed
WO-2013148631-A1 CYCLIC PRODRUGS OF DUOCARMYCIN ANALOGS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-03 WO disclosed
US-7214685-B2 Prodrugs for a selective cancer therapy Tietze, Lutz F. (DE) 2007-05-08 US disclosed
US-7214685-B2 Prodrugs for a selective cancer therapy Tietze, Lutz F. (DE) 2007-05-08 US disclosed
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
US-4978757-A BACTERICIDES, ANTITUMOR AGENTS, UV RAD ABSORBERS THE UPJOHN COMPANY (US) 1990-12-18 US disclosed
US-4912227-A 1,2,8,8A-tetrahydrocyclopropa(c)pyrrolo(3,2-e)-indol-4-(5H)-ones and related compounds THE UPJOHN COMPANY (US) 1990-03-27 US disclosed
EP-0154445-B1 ANALOGUES OF ANTIBIOTIC CC-1065 THE UPJOHN COMPANY (US) 1989-05-31 EP disclosed
EP-0154445-A1 Analogues of antibiotic cc-1065 THE UPJOHN COMPANY (US) 1985-09-11 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 (2 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-20160016972-A1 Cyclic N-Acyl O-Amino Phenol CBI Derivative CCNI, DBI, SUB1 NPC1 2376/4885RAB9A 3534/4885LMNA 190/4885
US-20150057270-A1 CYCLIC PRODRUGS OF DUOCARMYCIN ANALOGS DCK, DCTD, DUT NPC1 2804/4885RAB9A 3127/4885LMNA 2293/4885

“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.