SCHEMBL10004632

SCHEMBL10004632

CC/C(=C/C(=O)O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ GAA P10253 3/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ HPGD P15428 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RAB9A P51151 2/20 0.45

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
SCHEMBL10004639 1.00 MAPT (0.51) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10004634 1.00 MAPT (0.51) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10472081 0.86 ALDH1A1 (0.54) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL5581863 0.86 SMN1; SMN2 (0.50) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10003627 0.84 MAPT (0.47) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL20240839 0.84 MAPT (0.47) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10003624 0.84 MAPT (0.47) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10003630 0.84 MAPT (0.47) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL20255014 0.84 MAPT (0.47) MAPTGAAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10004256 0.82 MEN1 (0.55) MAPTGAATSHREPHX2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH MAPT 4783/4885GAA 3144/4885ALDH1A1 321/4885

“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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