SCHEMBL10211575

SCHEMBL10211575

Cc1ccc(NC(=O)N[C@@H]2CCCN(C)C2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 2/20 0.58
TSHR P16473 1/20 0.58
EPHX2 P34913 1/20 0.58
HRH3 Q9Y5N1 1/20 0.51
GAA P10253 2/20 0.50
GFER P55789 1/20 0.50
ALDH1A1 P00352 1/20 0.49
EPHX1 P07099 1/20 0.49
TP53 P04637 4/20 0.47
MAPT P10636 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
POLB P06746 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47

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
SCHEMBL10211634 0.89 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HTTTSHR
SCHEMBL10210841 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2HTTTSHR
SCHEMBL10210750 0.84 EPHX2 (0.60) RAB9ANPC1SMN1; SMN2HTTTSHR
SCHEMBL10212192 0.84 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HTTTSHR
SCHEMBL10210838 0.84 NPC1 (0.70) RAB9ANPC1SMN1; SMN2TSHREPHX2
SCHEMBL2751372 0.84 RAB9A (0.97) RAB9ANPC1SMN1; SMN2HTTTSHR
SCHEMBL10211642 0.83 NPC1 (0.51) RAB9ANPC1SMN1; SMN2HTTTSHR
SCHEMBL18735757 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTTSHR
SCHEMBL24381741 0.82 EPHX1 (0.66) RAB9ANPC1SMN1; SMN2EPHX2GAA
SCHEMBL10211627 0.82 EPHX1 (0.66) RAB9ANPC1SMN1; SMN2EPHX2EPHX1

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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT RAB9A 1841/4885NPC1 1778/4885SMN1; SMN2 2328/4885

“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.