SCHEMBL3875658

SCHEMBL3875658

Clc1cc(Oc2ccc3cc[nH]c3c2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
AHR P35869 3/20 0.44
CMA1 P23946 1/20 0.44
KMO O15229 1/20 0.41
MAOA P21397 1/20 0.40
SCN9A Q15858 1/20 0.38
CYP2A6 P11509 1/20 0.37
TYR P14679 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ENPP2 Q13822 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD1 P21728 1/20 0.36
ESR1 P03372 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL2434619 0.89 KDR (0.45) AHRKMOMAOACYP2A6KDR
SCHEMBL5101443 0.83 MEN1 (0.47) MEN1POLBMAPK1KMT2AAHR
SCHEMBL18362164 0.81 MEN1 (0.49) MEN1POLBMAPK1KMT2AAHR
SCHEMBL18362167 0.80 MEN1 (0.44) MEN1POLBMAPK1KMT2AAHR
SCHEMBL17913477 0.78 MEN1 (0.49) MEN1POLBMAPK1KMT2AAHR
SCHEMBL31156719 0.77 MEN1 (0.54) MEN1POLBMAPK1KMT2AAHR
SCHEMBL7790214 0.77 HAO1 (0.47) MEN1KMT2AKMOMAOACYP2A6
SCHEMBL31156700 0.77 MEN1 (0.47) MEN1POLBMAPK1KMT2AAHR
SCHEMBL3874090 0.75 KMO (0.42) MEN1KMT2AKMOKDM4EALDH1A1
SCHEMBL1040693 0.74 TRPV1 (0.63)

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
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
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 MEN1 4515/4885POLB 2455/4885MAPK1 1619/4885

“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.