SCHEMBL3092453

SCHEMBL3092453

O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.50
GPR55 Q9Y2T6 3/20 0.50
HTT P42858 1/20 0.50
GPR35 Q9HC97 1/20 0.50
CHRM2 P08172 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
KCNH2 Q12809 1/20 0.44
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.34
BRD4 O60885 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
APP P05067 2/20 0.31

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
SCHEMBL29385169 0.93 GPR55 (0.56) CNR1GPR55HTTGPR35CHRM2
SCHEMBL3070533 0.93 GPR55 (0.56) CNR1GPR55HTTGPR35CHRM2
SCHEMBL3076606 0.90 CNR1 (0.55) CNR1GPR55HTTGPR35CHRM2
SCHEMBL3192059 0.89 CNR1 (0.52) CNR1GPR55HTTGPR35CHRM2
SCHEMBL3190942 0.86 CNR1 (0.57) CNR1GPR55HTTGPR35CHRM2
SCHEMBL3090293 0.86 CNR1 (0.48) CNR1GPR55HTTGPR35CHRM2
SCHEMBL3089808 0.86 CNR1 (0.54) CNR1GPR55HTTGPR35CHRM2
SCHEMBL31355611 0.86 CNR1 (0.45) CNR1GPR55HTTGPR35CHRM2
SCHEMBL3093496 0.85 CNR1 (0.49) CNR1GPR55HTTGPR35CHRM2
SCHEMBL31184919 0.84 CNR1 (0.43) CNR1GPR55HTTGPR35CHRM2

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 7 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
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 EP disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 WO 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 971/4885GPR55 1842/4885HTT 595/4885

“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.