SCHEMBL19396272

SCHEMBL19396272

Cc1cc(-c2ccc(C(=O)N3CCCC(C)(F)C3)s2)nn1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ POLB P06746 4/20 0.37
▸ MAPT P10636 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ HPGD P15428 3/20 0.34
▸ YEATS4 O95619 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL19396271 0.87 ALDH1A1 (0.41) ALDH1A1MAPTRXFP1RAB9AKDM4E
SCHEMBL17624645 0.83 MAPT (0.47) ALDH1A1POLBMAPTRXFP1RAB9A
SCHEMBL19396274 0.81 ALDH1A1 (0.42) ALDH1A1POLBMAPTRXFP1RAB9A
SCHEMBL1593802 0.78 ALDH1A1 (0.56) ALDH1A1POLBRAB9AKDM4ENPC1
SCHEMBL19396254 0.77 KMT2A (0.50) ALDH1A1POLBMAPTRAB9AKDM4E
SCHEMBL19396277 0.77 L3MBTL1 (0.51) ALDH1A1POLBMAPTRXFP1RAB9A
SCHEMBL19396276 0.77 L3MBTL1 (0.51) ALDH1A1POLBMAPTRXFP1RAB9A
SCHEMBL19396252 0.77 ALDH1A1 (0.41) ALDH1A1RAB9AKDM4ENPC1MAPK14
SCHEMBL12589846 0.77 L3MBTL1 (0.51) ALDH1A1POLBMAPTRXFP1RAB9A
SCHEMBL15905580 0.76 ALDH1A1 (0.41) ALDH1A1POLBMAPTRXFP1RAB9A

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 1300/4885POLB 844/4885MAPT 807/4885

“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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