SCHEMBL3872895

SCHEMBL3872895

Clc1cc(Oc2ccc3ncccc3c2)ncn1.Oc1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ALOX5 P09917 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP3A4 P08684 2/20 0.41
PPARG P37231 1/20 0.41
KDR P35968 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
SCN9A Q15858 1/20 0.39

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
SCHEMBL2780055 0.92 ALDH1A1 (0.50) ALDH1A1ALOX5MEN1KMT2ACASP1
SCHEMBL1042628 0.82 TRPV1 (0.58) ALDH1A1ALOX5MEN1KMT2ACASP1
SCHEMBL7790214 0.77 HAO1 (0.47) ALOX5MEN1KMT2ATRPV1KDR
SCHEMBL2906411 0.75 CYP1A2 (0.42) ALDH1A1MEN1KMT2ATRPV1CYP3A4
SCHEMBL20551051 0.75 PPARG (0.46) ALDH1A1CYP3A4PPARGHTT
SCHEMBL112289 0.75 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL27260357 0.74 ALDH1A1 (0.50) ALDH1A1ALOX5MEN1KMT2ACASP1
SCHEMBL2776882 0.74 MEN1 (0.58) ALDH1A1ALOX5MEN1KMT2ACASP1
SCHEMBL2776544 0.73 KDR (0.50) ALDH1A1TRPV1KDRBRAF
SCHEMBL6644126 0.73 NPC1 (0.46) ALDH1A1ALOX5MEN1KMT2ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 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 (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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 ALDH1A1 3231/4885ALOX5 637/4885MEN1 4515/4885

“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.