SCHEMBL733368

SCHEMBL733368

COc1c[c]cc2c1ccn2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.40
SRC P12931 4/20 0.40
KMT2A Q03164 1/20 0.38
HTR6 P50406 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MAPK10 P53779 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
NR4A2 P43354 1/20 0.33
FABP4 P15090 1/20 0.33

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
SCHEMBL308174 0.73 HTR2C (0.33) HTR6
SCHEMBL733139 0.72
SCHEMBL308499 0.71 HTR2C (0.40) KMT2AHTR6ALDH1A1
SCHEMBL732887 0.71 CA12 (0.45) FGFR1FFAR4HTT
SCHEMBL308897 0.69 PIP4K2A (0.36) ALDH1A1HTT
SCHEMBL308890 0.69 HTR2C (0.33)
SCHEMBL28878338 0.68 NR4A2 (0.55) FGFR1SRCKMT2AHTR6NPC1
SCHEMBL309730 0.68 HTR2C (0.38) NPC1ALDH1A1HPGDMAPK1HTT
SCHEMBL23883999 0.67 FFAR4 (0.52) HTR6FFAR4NPC1ALDH1A1HPGD
SCHEMBL30234615 0.67 FFAR4 (0.52) HTR6FFAR4NPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 FGFR1 774/4885SRC 3023/4885KMT2A 3686/4885

“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.