SCHEMBL19396271

SCHEMBL19396271

Cc1cc(-c2ccc(C(=O)N3CCC(C)(F)CC3)s2)nn1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HTR1A P08908 6/20 0.38
▸ MAPT P10636 4/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ NR2E1 Q9Y466 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ ERN1 O75460 2/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL19396274 0.90 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL19396272 0.87 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL17624645 0.84 MAPT (0.47) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL19396254 0.84 KMT2A (0.50) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL12589840 0.83 CYP46A1 (0.47) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL15905580 0.82 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL12589838 0.81 MAPK14 (0.49) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL19396275 0.81 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL19396273 0.81 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL12589839 0.80 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1KDM4ELMNA

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 ALDH1A1 1300/4885RAB9A 960/4885NPC1 3863/4885

“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.

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