SCHEMBL4152589

SCHEMBL4152589

COc1cc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.68
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
MAPT P10636 5/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 2/20 0.55
ENPP2 Q13822 1/20 0.55
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
ALDH1A1 P00352 4/20 0.51
THRB P10828 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2197831 1.00 MCHR1 (0.68) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2197835 1.00 MCHR1 (0.68) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL8268140 0.85 MCHR1 (0.49) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL12510833 0.85 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2199619 0.85 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2199621 0.85 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL4163283 0.83 MCHR1 (0.74) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL4163286 0.83 MCHR1 (0.74) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL4440595 0.83 MCHR1 (0.74) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2201917 0.81 MCHR1 (0.74) MCHR1MEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US claimed

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-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 MCHR1 523/4885MEN1 3649/4885KMT2A 1309/4885

“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.