SCHEMBL6776323

SCHEMBL6776323

C=C(Br)C(=O)Nc1cc(C(=O)O)n(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
PKM P14618 1/20 0.35
POLB P06746 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 2/20 0.34
TOP1 P11387 2/20 0.33
HRAS P01112 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
AR P10275 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 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
SCHEMBL6527019 0.86 POLB (0.34) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8889890 0.80 TDP1 (0.41) TDP1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3357113 0.78 HSD17B10 (0.44) TDP1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL14441973 0.78 CYP2C9 (0.43) TDP1POLBMEN1KMT2ACYP2C9
SCHEMBL26377893 0.76 TOP1 (0.44) TDP1POLBMEN1KMT2ACYP2C9
SCHEMBL7541678 0.76 HRAS (0.53) PKMPOLBTOP1HRASESR1
SCHEMBL7127221 0.75 HRAS (0.57) POLBTOP1HRASESR1ESR2
SCHEMBL7119707 0.75 HRAS (0.57) POLBTOP1HRASESR1ESR2
SCHEMBL14535121 0.74 TOP1 (0.45) TDP1POLBTOP1HRASESR1
SCHEMBL3459108 0.74 HRAS (0.51) POLBTOP1HRASESR1ESR2

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-6753316-B1 3-ACRYLAMIDOPYRAZOLE-5-CARBOXAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 2004-06-22 US disclosed
CN-1116281-C Acryloyl substituted distamycin derivatives, process for their preparation, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN SPA (IT) 2003-07-30 CN 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
EP-0722446-B1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2002-12-11 EP 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
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
CN-1226232-A Acryloyl substituted distamycin derivatives, process for their preparation, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN SPA (IT) 1999-08-18 CN disclosed
US-5753629-A AMINO ACID DERIVATIVE ANTIBIOTICS; VIRICIDES PHARMACIA S.P.A. (IT) 1998-05-19 US disclosed
CN-1131946-A Distamycin A analogues as antitumour or antiviral agents PHARMACIA SPA (IT) 1996-09-25 CN 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 (1 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 TDP1 2891/4885NPC1 19/4885RAB9A 683/4885

“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.