SCHEMBL3070541

SCHEMBL3070541

Cc1c(C(F)(F)F)ccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
HTT P42858 1/20 0.35
GPR35 Q9HC97 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPK10 P53779 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL3082363 0.99 CNR1 (0.34) CNR1HTTGPR35GPR55L3MBTL1
SCHEMBL3089792 0.99 CNR1 (0.34) CNR1HTTGPR35GPR55L3MBTL1
SCHEMBL3665284 0.91 CNR1 (0.32) CNR1HTTGPR35GPR55
SCHEMBL3669051 0.89 HTR2A (0.32) L3MBTL1
SCHEMBL3087572 0.85 CNR1 (0.37) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL31003823 0.85 CNR1 (0.37) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL3085010 0.84 CNR1 (0.36) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL3096400 0.84 CNR1 (0.36) CNR1HTTGPR35GPR55ALDH1A1
SCHEMBL31003651 0.84 PDE7A (0.42) CNR1HTTGPR35GPR55L3MBTL1
SCHEMBL31003782 0.84 CNR1 (0.36) CNR1HTTGPR35GPR55ALDH1A1

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
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US claimed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C CNR1 971/4885HTT 595/4885GPR35 1160/4885

“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.