SCHEMBL12898274

SCHEMBL12898274

O=C(Nc1ncccc1N1CCCC1=O)NC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ TSHR P16473 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ EPHX1 P07099 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ MET P08581 1/20 0.42
▸ KDR P35968 1/20 0.42

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
SCHEMBL12898264 0.99 HPGD (0.51) HPGDMAPTCYP3A4CYP2C9SMN1; SMN2
SCHEMBL12898263 0.81 MAPK1 (0.42) MAPTCYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL12898282 0.81 NPC1 (0.53) MAPTCYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL12898287 0.81 CNR1 (0.45) SMN1; SMN2EPHX2MET
SCHEMBL12898278 0.78 USP2 (0.53) HPGDMAPTSMN1; SMN2RAB9ATSHR
SCHEMBL12898271 0.78 TSHR (0.49) HPGDMAPTCYP3A4SMN1; SMN2NPC1
SCHEMBL12898285 0.77 NPSR1 (0.55) HPGDMAPTCYP2C9SMN1; SMN2NPC1
SCHEMBL12898272 0.77 TSHR (0.40) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12898253 0.76 ALDH1A1 (0.45) MAPTSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL12898265 0.76 FPR2 (0.44) MAPTCYP2C9SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — US disclosed
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP HPGD 1329/4885MAPT 228/4885CYP3A4 1724/4885

“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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