SCHEMBL19396276

SCHEMBL19396276

Cc1cc(-c2ccc(C(=O)N3CCC[C@@H](C)C3)s2)nn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RECQL P46063 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL19396277 1.00 L3MBTL1 (0.51) L3MBTL1TSHRNPSR1RECQLPOLB
SCHEMBL12589846 1.00 L3MBTL1 (0.51) L3MBTL1TSHRNPSR1RECQLPOLB
SCHEMBL19396252 0.89 ALDH1A1 (0.41) L3MBTL1TSHRNPSR1NPC1RAB9A
SCHEMBL12589841 0.87 ALDH1A1 (0.46) L3MBTL1TSHRNPSR1MAPTRXFP1
SCHEMBL12589838 0.86 MAPK14 (0.49) L3MBTL1TP53MAPTRXFP1NPC1
SCHEMBL19396255 0.86 ALDH1A1 (0.44) L3MBTL1TSHRNPSR1POLBMAPT
SCHEMBL17624645 0.85 MAPT (0.47) L3MBTL1TSHRNPSR1POLBMAPT
SCHEMBL19396257 0.80 L3MBTL3 (0.62) L3MBTL1ALDH1A1HPGD
SCHEMBL12589839 0.80 ALDH1A1 (0.44) L3MBTL1TSHRPOLBTP53MAPT
SCHEMBL12589845 0.79 ALDH1A1 (0.40) L3MBTL1TSHRMAPTNPC1RAB9A

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 L3MBTL1 2981/4885TSHR 410/4885NPSR1 430/4885

“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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