SCHEMBL3190669

SCHEMBL3190669

NCc1cc(F)cc(Cl)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
THRB P10828 2/20 0.38
CYP1A2 P05177 5/20 0.37
CYP2C9 P11712 3/20 0.37
PRMT1 Q99873 1/20 0.36
HSD17B10 Q99714 5/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 3/20 0.36
RECQL P46063 2/20 0.36
TTR P02766 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PNMT P11086 2/20 0.35
HSP90AA1 P07900 2/20 0.34
CYP2C19 P33261 3/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 2/20 0.33

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
SCHEMBL19816103 0.86 MEN1 (0.47) IDO1THRBCYP1A2PRMT1HSD17B10
SCHEMBL3184747 0.78 ERN1 (0.42) IDO1THRBHSD17B10RECQLMAPK1
SCHEMBL11674645 0.78 HSD17B10 (0.44) THRBCYP1A2CYP2C9PRMT1HSD17B10
SCHEMBL18588987 0.78 PNMT (0.46) CYP3A4ALDH1A1PNMTHTR2CSLC6A4
SCHEMBL13816977 0.78 CYP3A4 (0.56) THRBCYP1A2CYP2C9PRMT1HSD17B10
SCHEMBL374815 0.77 HSD17B10 (0.58) IDO1THRBCYP1A2CYP2C9HSD17B10
SCHEMBL18298309 0.76 PNMT (0.33) PNMT
SCHEMBL29739247 0.76 PNMT (0.33) PNMT
SCHEMBL3176620 0.75 PTGS1 (0.42) ALDH1A1LMNAESR1MAPTPTGS1
SCHEMBL14534585 0.75 THRB (0.38) THRBCYP1A2CYP2C9PRMT1HSD17B10

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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
CN-101316841-A Arylmethylene urea derivative and use thereof TORAY INDUSTRIES (JP) 2008-12-03 CN disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP 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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 IDO1 68/4885THRB 4334/4885CYP1A2 84/4885

“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.