SCHEMBL10249259

SCHEMBL10249259

CCC(C)Nc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.68
ALDH1A1 P00352 4/20 0.66
CYP3A4 P08684 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
KAT2B Q92831 2/20 0.52
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KCNMA1 Q12791 1/20 0.45

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
SCHEMBL10249297 0.88 CYP3A4 (0.61) HCAR3ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL8810869 0.85 HCAR3 (0.68) HCAR3ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL10249208 0.84 HCAR3 (0.63) HCAR3ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL4626839 0.81 TSHR (0.53) HCAR3ALDH1A1CYP3A4KAT2BTSHR
SCHEMBL11523263 0.81 ALDH1A1 (0.60) HCAR3ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6044169 0.81 HCAR3 (1.00) HCAR3KMT2A
SCHEMBL116464 0.80 MAPT (0.64) HCAR3ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL13598830 0.80 HCAR3 (0.61) HCAR3ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL24282031 0.78 HCAR3 (0.79) HCAR3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL6250970 0.78 KAT2B (0.66) HCAR3ALDH1A1CYP3A4CYP1A2CYP2C9

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-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 HCAR3 107/4885ALDH1A1 1409/4885CYP3A4 285/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 HCAR3 107/4885ALDH1A1 1409/4885CYP3A4 285/4885

“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.