SCHEMBL14003643

SCHEMBL14003643

C1=CC(=Cc2cnc[nH]2)C=C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
KDM4E B2RXH2 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
AOC1 P19801 2/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
CYP19A1 P11511 7/20 0.41
CYP11B2 P19099 7/20 0.41
CYP11B1 P15538 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.39
CDK5 Q00535 1/20 0.39
PTK2B Q14289 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLK2 Q86UE8 1/20 0.39

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
SCHEMBL11469461 0.72
SCHEMBL19361933 0.67
SCHEMBL543476 0.67
SCHEMBL11469459 0.67
SCHEMBL28319712 0.65
SCHEMBL1997770 0.64
Cis-Urocanic Acid SCHEMBL1136889 0.63 CYP3A4 (1.00) HRH3KDM4EBLMNPSR1CYP3A4
Cis-Urocanic Acid SCHEMBL12963908 0.63 CYP3A4 (1.00) HRH3KDM4EBLMNPSR1CYP3A4
Cis-Urocanic Acid SCHEMBL338885 0.63 CYP3A4 (1.00) HRH3KDM4EBLMNPSR1CYP3A4
SCHEMBL14036942 0.62 ALDH1A1 (0.43) TSHRMEN1KMT2AMAPTCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841276-B2 Fulvene and fulvalene analogs and their use in treating cancers EMORY UNIVERSITY (US) 2014-09-23 US disclosed
US-8841276-B2 Fulvene and fulvalene analogs and their use in treating cancers EMORY UNIVERSITY (US) 2014-09-23 US disclosed
WO-2008137740-A1 FULVENE AND FULVALENE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2008-11-13 WO disclosed
US-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed U.S. GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, THE 2008-11-06 US disclosed
US-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed U.S. GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, THE 2008-11-06 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 (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-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed NOX1, NOX3, ROS1 HRH3 4290/4885KDM4E 1908/4885BLM 3070/4885

“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.