SCHEMBL8044037

SCHEMBL8044037

N#Cc1ccc(NC(=O)CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.59
UBA2 Q9UBT2 1/20 0.59
MAPT P10636 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
NLRP3 Q96P20 1/20 0.56
KMT2A Q03164 3/20 0.54
POLB P06746 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
IL18 Q14116 1/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
IDO1 P14902 1/20 0.53

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
Hydrochloric Acid SCHEMBL8034830 0.98 SAE1 (0.57) SAE1UBA2MAPTCA1CA2
SCHEMBL11647009 0.90 RAB9A (0.54) SAE1UBA2MAPTCA1CA2
SCHEMBL11645090 0.90 KMT2A (0.71) SAE1UBA2MAPTCA1CA2
SCHEMBL11641236 0.89 CA1 (0.62) SAE1UBA2CA1CA2CA12
SCHEMBL20941638 0.88 SAE1 (0.62) SAE1UBA2MAPTCA1CA2
SCHEMBL11641628 0.87 CA1 (0.49) SAE1UBA2MAPTCA1CA2
SCHEMBL11260465 0.85 MAPT (0.57) SAE1UBA2MAPTCA1CA2
SCHEMBL20941549 0.84 SAE1 (0.54) SAE1UBA2MAPTCA1CA2
SCHEMBL13716356 0.83 RORC (0.53) SAE1UBA2MAPTCA1CA2
SCHEMBL10625585 0.83 SAE1 (0.57) SAE1UBA2MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-11-06 US disclosed
US-6057324-A HAVE GPIIB/IIIA RECEPTOR ANTAGONIZING ACTIVITY AND ARE USEFUL FOR AMELIORATING ISCHEMIC CARDIAC DISORDERS, FOR AMELIORATING CEREBROVASCULAR DISORDERS, AND FOR AMELIORATING PERIPHERAL ARTERY DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 2000-05-02 US disclosed
EP-0905129-A1 SUBSTITUTED AMIDINOBENZENE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-03-31 EP disclosed
US-5773442-A EXHIBIT GPIIB/IIIA RECEPTOR ANTAGONISTIC ACTIVITY; USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF VASCULAR SYSTEM DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0810215-A1 NOVEL BENZAMIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-03 EP disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP 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-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, JAK2 SAE1 354/4885UBA2 3018/4885MAPT 4537/4885

“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.