SCHEMBL6984745

SCHEMBL6984745

CN(C(=O)c1ccc2ncccc2c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
ALOX15 P16050 1/20 0.57
PLK1 P53350 1/20 0.57
PLAU P00749 1/20 0.57
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PABPC1 P11940 1/20 0.53
DOT1L Q8TEK3 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 2/20 0.50
BCAT1 P54687 1/20 0.50
PDE10A Q9Y233 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL14333923 0.90 PLAU (0.56) HTTALOX15PLK1PLAUKMT2A
SCHEMBL3657843 0.87 ALOX15 (0.52) HTTALOX15PLK1PLAUKMT2A
SCHEMBL828250 0.85 ALOX15 (0.63) HTTALOX15PLK1KMT2AALDH1A1
SCHEMBL2470632 0.82 PLAU (0.75) HTTPLAUKMT2AKDM4EALDH1A1
SCHEMBL361516 0.80 ALOX15 (0.65) HTTALOX15PLK1KMT2AALDH1A1
SCHEMBL6983964 0.78 ALDH1A1 (0.62) HTTALOX15PLK1KMT2AALDH1A1
SCHEMBL323178 0.78 HTT (0.66) HTTALOX15PLK1KMT2AKDM4E
SCHEMBL29489054 0.78 HTT (0.66) HTTALOX15PLK1KMT2AKDM4E
SCHEMBL3661387 0.78 ALOX15 (0.46) HTTALOX15PLK1ALDH1A1LMNA
SCHEMBL16735638 0.78 MAOB (0.47) KMT2AKDM4ELMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410303-B2 Direct conversion of phenols into amides and esters of benzoic acid The Florida State University Research Foundation, Inc. (US) 2013-04-02 US disclosed
US-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID The Florida State University Research Foundation, Inc. (US) 2011-09-29 US disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO 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-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID DDC, NISCH, TST HTT 643/4885ALOX15 1218/4885PLK1 4642/4885

“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.