SCHEMBL12898249

SCHEMBL12898249

N#Cc1ccc(NC(=O)Nc2cc(N3CCCC3=O)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ BRAF P15056 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP3A5 P20815 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ CNR1 P21554 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
SCHEMBL12898234 0.84 F10 (0.50) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL12898265 0.78 FPR2 (0.44) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL12925040 0.78 HTR6 (0.44) MAPTSMN1; SMN2BRAFKDRMEN1
SCHEMBL1269272 0.77 MAPK1 (0.52) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1268628 0.74 MAPK1 (0.58) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1269229 0.72 MAPK1 (0.50) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7421728 0.71 ALDH1A1 (0.57) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1518846 0.70 CNR1 (0.60) MAPTSMN1; SMN2KDRMEN1KMT2A
SCHEMBL17804201 0.69 CNR1 (0.45) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL17079609 0.69 RAB9A (0.69) MAPTSMN1; SMN2MEN1KMT2ANPC1

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 MAPT 228/4885SMN1; SMN2 865/4885BRAF 330/4885

“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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