SCHEMBL3407690

SCHEMBL3407690

NC(=O)C1(Nc2ccc(I)cc2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
FPR2 P25090 5/20 0.43
EPHX2 P34913 2/20 0.37
EPHX1 P07099 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CTSK P43235 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
AR P10275 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX7 Q99572 1/20 0.33
OPRL1 P41146 1/20 0.33
IDO1 P14902 1/20 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
SCHEMBL1531618 0.82 CYP1A2 (0.51) CYP1A2EPHX2EPHX1CA1CA2
SCHEMBL20340404 0.81 CYP1A2 (0.48) CYP1A2FPR2
SCHEMBL2542108 0.81 CYP1A2 (0.50) CYP1A2CA1CA2CA12CA9
SCHEMBL20340394 0.78 CTSK (0.57) CYP1A2EPHX2EPHX1CTSK
SCHEMBL20340380 0.76 ALDH1A1 (0.45) CYP1A2EPHX2CA1CA2CA12
SCHEMBL18358788 0.75 CYP2D6 (0.61) CYP1A2CA1CA2CA12CA9
SCHEMBL27771334 0.75 EPHX2 (0.37) CYP1A2FPR2EPHX2EPHX1CA1
SCHEMBL1531517 0.74 CA12 (0.51) CYP1A2EPHX2EPHX1CA1CA2
SCHEMBL22440075 0.74 FPR2 (0.38) FPR2EPHX2SIGMAR1ARKCNH2
SCHEMBL3407709 0.73 SIGMAR1 (0.40) CYP1A2SIGMAR1P2RX7OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197838-B1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2013-10-23 EP disclosed
US-8394990-B2 Phenylurea inhibitors of the enzyme SOAT-1 and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-03-12 US disclosed
US-20100197735-A1 NOVEL PHENYLUREA INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-08-05 US disclosed
EP-2197838-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-23 EP disclosed
WO-2009030746-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 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-20100197735-A1 NOVEL PHENYLUREA INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 CYP1A2 839/4885FPR2 4732/4885EPHX2 1453/4885

“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.