SCHEMBL4674532

SCHEMBL4674532

CCOC(=O)c1ccc(-c2ncccc2C(F)(F)F)nc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.61
TGFBR1 P36897 3/20 0.50
MDM2 Q00987 1/20 0.45
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KDM4E B2RXH2 8/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.42

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
SCHEMBL5934317 0.84 TRPV1 (0.67) TRPV1TGFBR1ALDH1A1RAB9AKDM4E
SCHEMBL18187537 0.76 ALPL (0.51) TRPV1TGFBR1ALDH1A1L3MBTL1NPC1
SCHEMBL4351466 0.75 TRPV1 (0.53) TRPV1
SCHEMBL18137682 0.74 BRD4 (0.56) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL4728732 0.74 RAB9A (0.55) MDM2ALDH1A1L3MBTL1NPC1CASP3
SCHEMBL14444495 0.73 NCOA1 (0.53) TRPV1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL14430634 0.73 TRPV1 (0.56) TRPV1
SCHEMBL1498542 0.73 KDM4E (0.50) MDM2ALDH1A1L3MBTL1NPC1CASP3
SCHEMBL31697314 0.73 KDM4E (0.50) MDM2ALDH1A1L3MBTL1NPC1CASP3
SCHEMBL5472678 0.73 TRPV1 (0.43) TRPV1TGFBR1ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625119-B1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2008-07-23 EP disclosed
US-7329659-B2 Substituted-1-phthalazinamines as vr-1 antagonists MERCK SHARP & DOHME LIMITED (GB) 2008-02-12 US disclosed
US-20060229307-A1 Substituted-1-phthalazinamines as vr-1 antagonists MERCK SHARP & DOHME LTD. (GB) 2006-10-12 US disclosed
EP-1625119-A1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2006-02-15 EP disclosed
WO-2004099177-A1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-11-18 WO 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 (1 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-20060229307-A1 Substituted-1-phthalazinamines as vr-1 antagonists TRPV1, ARRB1, AVPR1A TRPV1 1/4885TGFBR1 745/4885MDM2 2680/4885

“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.