SCHEMBL6180353

SCHEMBL6180353

Cn1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
POLB P06746 4/20 0.40
TOP1 P11387 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPSE Q9Y251 1/20 0.40
HRAS P01112 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.39
MITF O75030 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL2387448 1.00 AR (0.44) ARKMT2AMEN1POLBTOP1
Hydrochloric Acid SCHEMBL27492354 0.99 AR (0.43) ARKMT2AMEN1POLBTOP1
SCHEMBL10110882 0.89 AR (0.44) ARKMT2AMEN1POLBTOP1
SCHEMBL13224131 0.87 MEN1 (0.43) ARKMT2AMEN1POLBTOP1
SCHEMBL20485561 0.87 MEN1 (0.43) ARKMT2AMEN1POLBTOP1
SCHEMBL2393205 0.87 MEN1 (0.43) ARKMT2AMEN1POLBTOP1
SCHEMBL1662655 0.85 AR (0.51) ARKMT2AMEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL6151019 0.84 AR (0.50) ARKMT2AMEN1POLBALDH1A1
SCHEMBL30644147 0.83 TOP1 (0.45) ARKMT2AMEN1POLBTOP1
SCHEMBL27272956 0.83 HRAS (0.47) ARKMT2APOLBTOP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 US disclosed
EP-3350145-B1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL UNIV TEXAS (US) 2020-09-16 EP disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
US-20180251454-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-09-06 US disclosed
EP-1064281-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-25 EP disclosed
US-6753316-B1 3-ACRYLAMIDOPYRAZOLE-5-CARBOXAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 2004-06-22 US disclosed
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. 2003-01-30 US disclosed
US-6482920-B1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA ITALIA, S.P.A. (IT) 2002-11-19 US disclosed
US-6458768-B1 ANTITUMOR AGENTS THAT CAN BE FORMULATED WITH A COMPOUND ALTERNATIVELY, CAN BE ADMINISTERED IN A MIXTURE OF DRUGS PHARMACIA & UPJOHN, S.P.A. (IT) 2002-10-01 US disclosed
EP-0915845-B1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-09-12 EP disclosed
EP-0912509-B1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-07-11 EP disclosed
US-6177408-B1 COMPOUNDS SUCH AS 3-(1-METHYL-4(1-METHYL-4(1-METHYL-4(4-N,N-BIS(2 -CHLOROETHYL)AMINOCINNAMOYLAMIDO)PYRROLE-2-CARBOXAMIDO)PYRROLE-2 -CARBOXAMIDO)PYRROLE-2-CARBOXAMIDO)PROPIONAMIDINE PHARMACIA & UPJOHN S.P.A. (IT) 2001-01-23 US disclosed
US-6165980-A Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-12-26 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 (4 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-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents EIF2AK2, ACR, EIF4A1 AR 980/4885KMT2A 4230/4885MEN1 1538/4885
US-10358439-B2 DNA binding agents with a minor groove binding tail TOP2B, TOP2A, TOP1 AR 3280/4885KMT2A 2905/4885MEN1 2390/4885
US-20180251454-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL TOP2B, TOP2A, TOP1 AR 3280/4885KMT2A 2905/4885MEN1 2390/4885
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR AR 1926/4885KMT2A 1221/4885MEN1 2197/4885

“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.