SCHEMBL7913797

SCHEMBL7913797

COC(=O)Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 3/20 0.46
GPR35 Q9HC97 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CTSD P07339 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
SCHEMBL10087451 0.91 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28156759 0.91 GPR35 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL21519389 0.89 ALDH1A1 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1373558 0.89 ALDH1A1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17144681 0.88 ALDH1A1 (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17974652 0.85 NPSR1 (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7524992 0.83 MAPK1 (0.47) ALDH1A1TSHRLMNAMAPTTDP1
SCHEMBL29923859 0.81 MEN1 (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL908565 0.81 MEN1 (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10267923 0.81 GPR35 (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377850-A1 TRPV1 vanilloid receptor antagonists with a bicyclic portion Pharmeste S.r.l. (IT) 2011-10-19 EP disclosed
US-7968540-B2 Spirohydantoin tricyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-06-28 US disclosed
US-7947677-B2 Spirolactam tricyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 US disclosed
US-20090281080-A1 Spirohydantoin Tricyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-11-12 US disclosed
US-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-6214829-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2001-04-10 US disclosed
EP-0900792-A1 Piperazine and piperidine derivatives as 5-HT1 receptor agonists DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-03-10 EP 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-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists BDKRB1, CALCRL, BDKRB2 PDGFRB 702/4885FGFR1 2170/4885PDGFRA 660/4885
US-20090281080-A1 Spirohydantoin Tricyclic CGRP Receptor Antagonists BDKRB1, BDKRB2, CCKBR PDGFRB 1116/4885FGFR1 2480/4885PDGFRA 1077/4885

“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.