SCHEMBL1082185

SCHEMBL1082185

O=c1ccc2cc(F)c(NC3CC3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
F11 P03951 1/20 0.39
MAPK1 P28482 2/20 0.39
KIF11 P52732 1/20 0.38
ROCK2 O75116 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
AR P10275 5/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4552186 0.93 RXFP1 (0.39) RXFP1CA12CA9CA1CA3
SCHEMBL1049975 0.86 BRD4 (0.46) RXFP1
SCHEMBL8264491 0.78 AR (0.51) CA12CA9CA1CA3CA4
SCHEMBL1081106 0.76 CA12 (0.52) RXFP1CA12CA9CA1CA3
SCHEMBL4296075 0.74 MAPT (0.41) RXFP1CA12CA9CA1CA3
SCHEMBL4553278 0.74 CA12 (0.37) RXFP1CA12CA9CA1CA3
SCHEMBL1053066 0.73 BRD4 (0.44) ROCK2PARP14
SCHEMBL1083026 0.72 AR (0.46) RXFP1CA12CA9CA1CA3
SCHEMBL4551878 0.71 PKM (0.50) RXFP1CA12CA9CA1CA3
SCHEMBL1081772 0.71 BRD4 (0.41) RXFP1CA12CA9F11MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875624-B2 administering a cancer patient 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one in the treatment of disorders relating to cell adhesion and metastatic processes; for monitoring the effects of drug by measuring the levels of ICAM, VCAM, or E-selectin in the patient NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-01-25 US disclosed
US-20050239825-A1 Modulation of inflammatory and metastatic processes CHIRON CORPORATION 2005-10-27 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-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 RXFP1 3699/4885CA12 268/4885CA9 777/4885

“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.