SCHEMBL17000091

SCHEMBL17000091

O=C(NCc1ccc(Cc2ccccc2)cc1)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.73
RAB9A P51151 5/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
POLB P06746 1/20 0.73
MAOB P27338 1/20 0.73
TP53 P04637 1/20 0.73
HPGD P15428 1/20 0.73
HTT P42858 1/20 0.69
CA2 P00918 3/20 0.66
CA1 P00915 2/20 0.66
PTPN1 P18031 1/20 0.64
MAPT P10636 3/20 0.63
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
ROCK2 O75116 1/20 0.61
ROCK1 Q13464 1/20 0.61
RORC P51449 1/20 0.61
NAMPT P43490 2/20 0.57

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
SCHEMBL2831462 0.93 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14025738 0.90 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11618171 0.88 HTT (0.81) HTTROCK2ROCK1NAMPT
SCHEMBL4744610 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4743393 0.86 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7420189 0.85 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13720058 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27953145 0.85 RAB9A (0.72) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27942151 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2704691 0.84 MAPT (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 NPC1 4492/4885RAB9A 3723/4885SMN1; SMN2 1789/4885

“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.