SCHEMBL1908751

SCHEMBL1908751

Cc1cc(NC(=O)N[C@@H]2CCN(C)C2)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 4/20 0.48
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
CCR3 P51677 1/20 0.45
MAPT P10636 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL10211624 0.93 EPHX2 (0.51) EPHX2ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL357812 0.82 SMYD3 (0.52) TSHRMAPT
SCHEMBL1913132 0.75 DRD2 (0.63) EPHX2MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL10212612 0.74 SMYD3 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10210804 0.74 EPHX2 (0.46) EPHX2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL14385304 0.74 MAPK1 (0.45) EPHX2MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL1913129 0.73 S1PR2 (0.51) EPHX2MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL1911307 0.72 MAPT (0.53) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL1908655 0.72 EPHX1 (0.61) EPHX2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL356730 0.71 CTSL (0.65) EPHX2ALDH1A1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX2 1266/4885ALDH1A1 478/4885KDM4E 4772/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX2 1216/4885ALDH1A1 201/4885KDM4E 4184/4885

“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.