SCHEMBL4937786

SCHEMBL4937786

CN1CCC(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
CYP19A1 P11511 2/20 0.44
CTSS P25774 2/20 0.43
SSTR4 P31391 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGES O14684 1/20 0.42
RBP4 P02753 1/20 0.41
TTR P02766 1/20 0.41
BRAF P15056 2/20 0.41
SIRT6 Q8N6T7 1/20 0.40
HPGD P15428 1/20 0.40
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CTSK P43235 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL11568049 0.89 CYP19A1 (0.47) SIGMAR1CYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL1655800 0.85 ACHE (0.48) ACHESIGMAR1CYP19A1RBP4TTR
SCHEMBL13419646 0.85 S1PR4 (0.50) ACHESIGMAR1CYP19A1HPGDCHRNB4
SCHEMBL446992 0.84 ACHE (0.51) ACHESIGMAR1CYP19A1CYP1A2CYP2C19
SCHEMBL4929532 0.82 MAPT (0.46) ACHECYP19A1CYP1A2CYP2C9CYP2C19
SCHEMBL21644446 0.82 DRD4 (0.51) ACHESIGMAR1CYP19A1CYP1A2CYP2C9
SCHEMBL4495673 0.82 CYP19A1 (0.49) ACHESIGMAR1CYP19A1CYP1A2CYP2C9
SCHEMBL2124399 0.82 ACHE (0.49) ACHESIGMAR1CYP19A1SIRT6HPGD
SCHEMBL6230486 0.80 ACHE (0.44) ACHESIGMAR1CYP19A1CTSSRBP4
SCHEMBL4377013 0.80 CYP19A1 (0.49) ACHESIGMAR1CYP19A1CHRNB4CHRNA3

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-105801584-B Novel aryl amide Raf kinase and its preparation method and application 中国药科大学 2019-03-05 CN disclosed
CN-105801584-A Novel aromatic amide Raf kinase inhibitors and preparation method and application thereof 中国药科大学 2016-07-27 CN disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
CN-101291917-A Diaryl urea derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2008-10-22 CN disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA ACHE 3851/4885SIGMAR1 4157/4885CYP19A1 3679/4885

“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.