SCHEMBL10249409

SCHEMBL10249409

CCCNc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.71
HCAR3 P49019 3/20 0.65
MAPT P10636 8/20 0.63
ALDH1A1 P00352 5/20 0.63
RAB9A P51151 3/20 0.63
PKM P14618 2/20 0.63
NPC1 O15118 2/20 0.63
CRHBP P24387 1/20 0.63
CRHR2 Q13324 1/20 0.63
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 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
SCHEMBL14906561 0.89 KAT2B (0.74) KAT2BHCAR3MAPTALDH1A1RAB9A
SCHEMBL16151564 0.88 KAT2B (0.72) KAT2BHCAR3MAPTALDH1A1RAB9A
SCHEMBL3636228 0.87 KAT2B (0.69) KAT2BHCAR3MAPTALDH1A1RAB9A
SCHEMBL6250970 0.87 KAT2B (0.66) KAT2BHCAR3MAPTALDH1A1RAB9A
SCHEMBL24076 0.86 KAT2B (0.69) KAT2BHCAR3MAPTALDH1A1RAB9A
SCHEMBL29377506 0.86 KAT2B (0.69) KAT2BHCAR3MAPTALDH1A1RAB9A
SCHEMBL16378801 0.86 KAT2B (0.69) KAT2BHCAR3MAPTALDH1A1RAB9A
SCHEMBL14063303 0.84 HCAR3 (0.65) KAT2BHCAR3MAPTALDH1A1RAB9A
SCHEMBL9725410 0.83 ALDH1A1 (0.72) KAT2BHCAR3MAPTALDH1A1CYP3A4
SCHEMBL4858189 0.83 KAT2B (0.74) KAT2BHCAR3MAPTALDH1A1PKM

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 KAT2B 1631/4885HCAR3 107/4885MAPT 4423/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 KAT2B 1631/4885HCAR3 107/4885MAPT 4423/4885

“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.