SCHEMBL6582932

SCHEMBL6582932

NC(=O)N(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.61
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
PTPN1 P18031 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX5 P09917 1/20 0.39
CDC25B P30305 1/20 0.39
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9547530 0.89 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4KDM4EGAA
SCHEMBL6798279 0.87 SIGMAR1 (0.49) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28821130 0.86 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8502273 0.82 PTPN1 (0.59) SIGMAR1PTPN1NR4A1NR4A2NR4A3
SCHEMBL4869612 0.81 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11104015 0.81 SIGMAR1 (0.43) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2237112 0.80 CA2 (0.50) SIGMAR1
SCHEMBL34468098 0.80 SIGMAR1 (0.55) SIGMAR1CYP1A2PTPN1ALDH1A1TDP1
SCHEMBL7914999 0.80 SIGMAR1 (0.55) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28017448 0.80 SIGMAR1 (0.55) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214479-A Pyrazole naphthylurea tyrosine kinase inhibitor and its application WUHAN DONGYU BIOLOG MEDICAL TECHNOLOGY CO LTD 2013-07-24 CN disclosed
US-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US disclosed
EP-1414788-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
JP-2003192659-A PHENYLUREA DERIVATIVE BAYER AG 2003-07-09 JP disclosed
JP-2003192660-A UREA DERIVATIVE BAYER AG 2003-07-09 JP disclosed
JP-2003055209-A PHENYLNAPHTHYLUREA DERIVATIVE BAYER AG 2003-02-26 JP disclosed
WO-2003014064-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-02-20 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-20040259875-A1 Amine derivatives AVPR1A, GRIN1, OPRL1 SIGMAR1 262/4885CYP1A2 3709/4885CYP3A4 4160/4885

“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.