SCHEMBL19396259

SCHEMBL19396259

Cc1cc(C(=O)N2CCCCC2)sc1-c1cc(C)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 9/20 0.43
ALDH1A1 P00352 7/20 0.43
NPSR1 Q6W5P4 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 4/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
USP2 O75604 2/20 0.43
CREBBP Q92793 1/20 0.43
ATM Q13315 1/20 0.42
HSD17B10 Q99714 4/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
STAT3 P40763 1/20 0.39
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1594578 0.85 ALDH1A1 (0.45) NPC1RAB9AHPGDALDH1A1NPSR1
SCHEMBL17624645 0.81 MAPT (0.47) NPC1RAB9AHPGDALDH1A1NPSR1
SCHEMBL19396261 0.78 HPGD (0.43) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL12926042 0.72 NR2E1 (0.59) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL19396257 0.70 L3MBTL3 (0.62) HPGDALDH1A1
SCHEMBL12589841 0.69 ALDH1A1 (0.46) NPC1RAB9AALDH1A1NPSR1TSHR
SCHEMBL19396275 0.68 ALDH1A1 (0.43) NPC1RAB9AHPGDALDH1A1NPSR1
SCHEMBL12589838 0.68 MAPK14 (0.49) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL4968890 0.68 HPGD (0.45) NPC1RAB9AHPGDALDH1A1NPSR1
SCHEMBL12589846 0.68 L3MBTL1 (0.51) NPC1RAB9AHPGDALDH1A1NPSR1

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-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC 2017-09-28 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-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B NPC1 3863/4885RAB9A 960/4885HPGD 932/4885

“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.