SCHEMBL6527019

SCHEMBL6527019

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 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 0.32
KDM4E B2RXH2 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL7116896 0.88 POLB (0.35) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL6776323 0.86 TDP1 (0.36) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL6576431 0.79 AR (0.39) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL7541678 0.74 HRAS (0.53) POLBTOP1HRASESR1ESR2
SCHEMBL7119707 0.73 HRAS (0.57) POLBTOP1HRASESR1ESR2
SCHEMBL3459108 0.73 HRAS (0.51) POLBTOP1HRASESR1ESR2
SCHEMBL7117804 0.73 HRAS (0.48) POLBTOP1HRASESR1ESR2
Brostallicin SCHEMBL3678233 0.73 HRAS (0.56) POLBTOP1HRASESR1ESR2
SCHEMBL7127024 0.73 HRAS (0.56) POLBTOP1HRASESR1ESR2
SCHEMBL7118414 0.73 HRAS (0.48) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951951-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-10-04 US disclosed
US-6753316-B1 3-ACRYLAMIDOPYRAZOLE-5-CARBOXAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 2004-06-22 US disclosed
US-20040082759-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US disclosed
US-20040029810-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-02-12 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
EP-1324983-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES Pharmacia Italia S.p.A. (IT) 2003-07-09 EP disclosed
EP-1311481-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES Pharmacia Italia S.p.A. (IT) 2003-05-21 EP 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
EP-1242374-A1 ACRYLOYL PEPTIDIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-09-25 EP disclosed
WO-2002008184-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA S.P.A. (IT) 2002-01-31 WO disclosed
WO-2002002523-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA S.P.A. (IT) 2002-01-10 WO 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
WO-2001040181-A1 ACRYLOYL PEPTIDIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-06-07 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040029810-A1 Process for preparing distamycin derivatives RPN2, DHPS, MYD88 POLB 1267/4885NPC1 786/4885RAB9A 949/4885
US-20040082759-A1 Process for preparing distamycin derivatives GSTP1, GSTA1, GSS POLB 2044/4885NPC1 1136/4885RAB9A 405/4885
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents EIF2AK2, ACR, EIF4A1 POLB 2369/4885NPC1 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.