SCHEMBL4136830

SCHEMBL4136830

O=C(O)c1ccc([N+](=O)[O-])c(NC2CCCCC2)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.80
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
LMNA P02545 2/20 0.60
GPR55 Q9Y2T6 1/20 0.60
CASP6 P55212 1/20 0.53
MAPT P10636 4/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
WNK1 Q9H4A3 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL24704181 0.93 HCAR3 (0.81) HCAR3MEN1KMT2ALMNAGPR55
SCHEMBL2030586 0.90 HCAR3 (0.97) HCAR3MEN1KMT2ALMNAGPR55
SCHEMBL6043899 0.89 HCAR3 (1.00) HCAR3MEN1KMT2ALMNAGPR55
SCHEMBL6044949 0.86 HCAR3 (1.00) HCAR3MEN1KMT2ALMNAGPR55
SCHEMBL22725401 0.86 HCAR3 (0.60) HCAR3MEN1KMT2ALMNAGPR55
SCHEMBL14092691 0.84 HCAR3 (0.57) HCAR3MEN1KMT2ALMNAGPR55
SCHEMBL5906517 0.83 HCAR3 (1.00) HCAR3MEN1KMT2ALMNAGPR55
SCHEMBL4124929 0.82 ALOX15 (0.65) HCAR3MEN1KMT2ALMNAMAPT
SCHEMBL6482602 0.82 HCAR3 (0.57) HCAR3MEN1KMT2ALMNAGPR55
SCHEMBL20529509 0.82 HCAR3 (0.61) HCAR3MEN1KMT2ALMNAMAPT

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 HCAR3 2952/4885MEN1 4832/4885KMT2A 2410/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 HCAR3 2952/4885MEN1 4832/4885KMT2A 2410/4885

“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.