SCHEMBL4936979

SCHEMBL4936979

COc1ccc(C(NC(c2ccc(F)cc2)c2ccc(OC)nc2)c2ccc(F)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KRAS P01116 1/20 0.41
SOS1 Q07889 1/20 0.41
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
TDO2 P48775 1/20 0.39
RPS6KB1 P23443 2/20 0.39
MEN1 O00255 3/20 0.39
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
GAA P10253 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL4584655 0.79 NPC1 (0.44) NPC1RAB9ALMNASMN1; SMN2KRAS
SCHEMBL4377584 0.76 TDO2 (0.59) NPC1RAB9ALMNASMN1; SMN2KRAS
SCHEMBL12093558 0.75 NNMT (0.44) KMT2AALDH1A1POLBMEN1KDM4E
SCHEMBL4941194 0.75 POLB (0.35) LMNASMN1; SMN2POLBMAPT
SCHEMBL1736269 0.74
SCHEMBL30838105 0.74
SCHEMBL13575351 0.72 MKNK1 (0.57) NPC1RAB9ALMNASMN1; SMN2TDO2
SCHEMBL2609318 0.71 OXTR (0.46) KMT2AALDH1A1POLBMEN1KDM4E
SCHEMBL2423352 0.70 PIK3CA (0.47) NPC1KMT2AALDH1A1POLBMEN1
SCHEMBL23913878 0.70 CHRNA7 (0.44) KMT2AALDH1A1POLBMEN1KDM4E

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-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy ASTRAZENECA AB (SE) 2008-12-11 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-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy MCHR1, MCHR2, MC1R NPC1 381/4885RAB9A 1213/4885LMNA 4540/4885

“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.