SCHEMBL7103983

SCHEMBL7103983

CC(CC#N)(C(=O)N1CCCC1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 10/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR6 P50406 2/20 0.43
LMNA P02545 1/20 0.42
STAT3 P40763 1/20 0.41
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL7097695 0.89 PKM (0.55) PKMSMN1; SMN2MAPTKMT2ANPC1
SCHEMBL7100941 0.89 PKM (0.54) PKMSMN1; SMN2MAPTKMT2ANPC1
SCHEMBL7412959 0.88 PKM (0.53) PKMSMN1; SMN2MAPTKMT2ANPC1
SCHEMBL7101468 0.85 PKM (0.55) PKMSMN1; SMN2MAPTKMT2ANPC1
SCHEMBL7097462 0.83 PKM (0.49) PKMSMN1; SMN2MAPTKMT2ANPC1
SCHEMBL7415203 0.81 PKM (0.47) PKMSMN1; SMN2MAPTKMT2ANPC1
SCHEMBL7097426 0.81 PKM (0.47) PKMSMN1; SMN2MAPTKMT2ANPC1
SCHEMBL7097859 0.81 PKM (0.47) PKMSMN1; SMN2MAPTKMT2ANPC1
SCHEMBL7096419 0.80 LMNA (0.48) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL7097043 0.77 KMT2A (0.59) PKMSMN1; SMN2MAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6593355-B2 2-phenylaminomethyl benzimidazole derivatives BOEHRINGER INGELEHIM PHARMA KG (DE) 2003-07-15 US disclosed
US-20030004356-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6451832-B2 E.G., 2-(AMINDINOPHENYLAMINOMETHYL)-1-METHYL-5-(1-(ETHOXY-CARBONYL-METHYLAMINO)-1 -(2,5-DIHYDROPYRROLOCARBONYL)-ETHYL)BENZIMIDAZOLE; ANTICOAGULANTS AND ANTITHROMBOLYTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-17 US disclosed
US-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 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 (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-20030004356-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 PKM 958/4885SMN1; SMN2 1577/4885MAPT 4862/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 PKM 958/4885SMN1; SMN2 1577/4885MAPT 4862/4885

“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.