SCHEMBL8096953

SCHEMBL8096953

Cc1c(-c2ccc(C(=O)N3CCC[C@H](C)C3)s2)noc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
GRM5 P41594 1/20 0.38
MAPK14 Q16539 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL11355346 1.00 POLB (0.42) POLBTSHRNPSR1L3MBTL1RECQL
SCHEMBL21230205 0.93 RECQL (0.42) POLBTSHRNPSR1L3MBTL1RECQL
SCHEMBL3247228 0.90 HDAC4 (0.39) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4094743 0.90 HDAC4 (0.39) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL3247824 0.90 HDAC4 (0.39) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL19775144 0.90 MAPK14 (0.37) KMT2AMEN1MAPK14LMNAGAA
SCHEMBL4083044 0.90 CHEK1 (0.37) KMT2AMEN1MAPK14LMNAGAA
SCHEMBL3240789 0.90 CHEK1 (0.37) KMT2AMEN1MAPK14LMNAGAA
SCHEMBL3250083 0.90 CHEK1 (0.37) KMT2AMEN1MAPK14LMNAGAA
SCHEMBL3250580 0.90 SPR (0.41) L3MBTL1RXFP1SMN1; SMN2HPGDRAB9A

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 3 patents. 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
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC 2017-09-28 US disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 WO 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 POLB 844/4885TSHR 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.