SCHEMBL472372

SCHEMBL472372

Cc1nc(Cl)oc1-c1ccc(Br)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
SPR P35270 1/20 0.31
GBA1 P04062 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
CASP3 P42574 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL472434 0.80 GBA1 (0.35) CA2NPC1NFKB1MAPK1RAB9A
SCHEMBL2288917 0.77 NPSR1 (0.45) KDM4ENPC1RAB9AL3MBTL1CYP1A2
SCHEMBL472566 0.76 NPC1 (0.37) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL472459 0.71 ADRA2A (0.33) CA2KDM4EALDH1A1NPC1NFKB1
SCHEMBL472478 0.69 NMUR2 (0.40) NPC1L3MBTL1CYP1A2
SCHEMBL28557877 0.68 ALDH1A1 (0.33) CA2ALDH1A1CYP1A2SPRGBA1
SCHEMBL40864 0.67 KDM4E (0.46) CA2KDM4EALDH1A1NPC1NFKB1
SCHEMBL2625719 0.67 KDM4E (0.42) CA2KDM4EALDH1A1NPC1MAPK1
SCHEMBL10032237 0.66 CCR1 (0.59) KDM4EALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL2625720 0.66 CYP1A1 (0.39) CA2KDM4EALDH1A1NPC1NFKB1

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
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 CA2 517/4885KDM4E 3900/4885ALDH1A1 2031/4885

“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.