SCHEMBL4427419

SCHEMBL4427419

Cc1nc(-c2cccc(F)c2)ccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.59
RXFP1 Q9HBX9 1/20 0.56
KMO O15229 2/20 0.56
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 3/20 0.52
HPGD P15428 1/20 0.52
CASP3 P42574 2/20 0.52
DCLRE1B Q9H816 1/20 0.49
NPC1 O15118 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HPGDS O60760 1/20 0.46
DHODH Q02127 3/20 0.46
MLNR O43193 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45

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
SCHEMBL19895158 0.85 NPC1 (0.71) ALDH1A1SMN1; SMN2KMORAB9AKDM4E
SCHEMBL29419185 0.85 NPC1 (0.71) ALDH1A1SMN1; SMN2KMORAB9AKDM4E
SCHEMBL4429929 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL4426818 0.82 RAB9A (0.60) ALDH1A1SMN1; SMN2RAB9AKDM4EHPGD
SCHEMBL2765423 0.81 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL4423346 0.81 RXFP1 (0.66) ALDH1A1SMN1; SMN2RXFP1KMORAB9A
SCHEMBL3213900 0.77 HPGDS (0.54) ALDH1A1SMN1; SMN2KMORAB9AKDM4E
SCHEMBL4434614 0.77 KMO (0.56) ALDH1A1SMN1; SMN2RXFP1KMORAB9A
Hydrochloric Acid SCHEMBL3222314 0.76 HPGDS (0.53) ALDH1A1SMN1; SMN2KMORAB9AKDM4E
SCHEMBL14312614 0.75 LDHA (0.73) ALDH1A1KMOKDM4EDCLRE1BHPGDS

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
CN-106146491-B The naphthyridine compounds of 5 hydroxyl 1,7, its preparation method and its pharmaceutical applications being optionally substituted aryl or heteroaryl 沈阳三生制药有限责任公司 2017-12-12 CN disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 ALDH1A1 2107/4885SMN1; SMN2 3167/4885RXFP1 181/4885

“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.