SCHEMBL3672232

SCHEMBL3672232

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(O)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.70
CDK19 Q9BWU1 1/20 0.70
KDR P35968 1/20 0.67
MAPT P10636 5/20 0.67
KMT2A Q03164 5/20 0.67
MEN1 O00255 3/20 0.67
HTT P42858 2/20 0.67
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 2/20 0.61
P2RX1 P51575 2/20 0.61
SLC2A1 P11166 1/20 0.61
P2RX4 Q99571 1/20 0.61
P2RX7 Q99572 1/20 0.61
TMPRSS4 Q9NRS4 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
NPSR1 Q6W5P4 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL12443228 0.89 MAPT (0.74) NTRK1CDK19KDRMAPTKMT2A
SCHEMBL3692790 0.87 KDR (0.73) NTRK1CDK19KDRMAPTKMT2A
SCHEMBL4349868 0.87 EPHX2 (0.67) NTRK1CDK19KDRMAPTKMT2A
SCHEMBL665533 0.86 KDR (0.67) NTRK1CDK19KDRMAPTKMT2A
SCHEMBL30413950 0.86 KDR (0.67) NTRK1CDK19KDRMAPTKMT2A
SCHEMBL30101230 0.85 KMT2A (0.90) NTRK1CDK19KDRMAPTKMT2A
SCHEMBL5597699 0.85 KMT2A (0.90) NTRK1CDK19KDRMAPTKMT2A
SCHEMBL14601707 0.84 KMT2A (0.77) NTRK1CDK19KDRMAPTKMT2A
SCHEMBL13549872 0.84 MAPT (0.70) NTRK1CDK19MAPTKMT2AMEN1
SCHEMBL4548162 0.83 KMT2A (0.87) NTRK1CDK19KDRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US claimed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 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 (2 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-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 NTRK1 234/4885CDK19 1979/4885KDR 2590/4885
US-20070142450-A1 Novel urea derivatives and their medical use ACHE, NMUR1, NMUR2 NTRK1 569/4885CDK19 1698/4885KDR 2128/4885

“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.