SCHEMBL162398

SCHEMBL162398

CNC(=O)c1cc([O])on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
BAZ2B Q9UIF8 1/20 0.43
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
PLK1 P53350 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36

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
SCHEMBL345038 0.79 MAPT (0.67) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL163272 0.79 NPC1 (0.55) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL163576 0.79 MAPT (0.40) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL161857 0.79 RAB9A (0.49) ALDH1A1NPC1RAB9ATP53HTT
SCHEMBL4478564 0.78 MAPT (0.42) MAPTBAZ2BROCK2PIM1GSK3B
SCHEMBL18236195 0.78 ROCK2 (0.44) MAPTBAZ2BROCK2PIM1GSK3B
SCHEMBL345037 0.78 MAPT (0.42) MAPTBAZ2BROCK2PIM1GSK3B
SCHEMBL13430874 0.76 SMN1; SMN2 (0.63) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL163857 0.76 TP53 (0.58) ALDH1A1NPC1RAB9ATP53HTT
SCHEMBL160032 0.75 TP53 (0.51) MAPTALDH1A1TP53HTTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 MAPT 261/4885BAZ2B 2722/4885ROCK2 3887/4885

“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.