SCHEMBL3961356

SCHEMBL3961356

C=CCc1cc([N+](=O)[O-])c(CO)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.49
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
POLB P06746 2/20 0.43
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
SRD5A1 P18405 1/20 0.38
HCAR3 P49019 1/20 0.36
XDH P47989 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
GPR35 Q9HC97 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9001711 0.82 SNCA (0.53) SNCAALOX15ALOX12POLBGABRA1
SCHEMBL9652435 0.81 ALDH1A1 (0.49) SNCAPOLBGABRA1GABRB2SRD5A1
SCHEMBL3957221 0.80 GABRA1 (0.52) ALOX15POLBGABRA1GABRB2ALDH1A1
SCHEMBL9490282 0.79 SNCA (0.74) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL9282738 0.79 SNCA (0.46) SNCAALOX15ALOX12POLBGABRA1
SCHEMBL7645214 0.77 GABRA1 (0.41) SNCAPOLBGABRA1GABRB2HCAR3
SCHEMBL16022729 0.75 SNCA (0.50) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL1420694 0.75 GABRA1 (0.64) POLBGABRA1GABRB2SRD5A1XDH
SCHEMBL9270685 0.75 GABRA1 (0.53) SNCAALOX15POLBGABRA1GABRB2
SCHEMBL1607678 0.74 SNCA (0.51) SNCAALOX15ALOX12XDHALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20050256103-A1 Indole derivative having piperidine ring EISAI CO., LTD. 2005-11-17 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-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A SNCA 580/4885ALOX15 1814/4885ALOX12 2381/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A SNCA 744/4885ALOX15 1336/4885ALOX12 1800/4885

“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.