SCHEMBL29660728

SCHEMBL29660728

COC(=O)/C=C(\C)Nc1cc(F)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29660685 0.89 MAPT (0.50) MAPTKMT2AHTTMEN1MAPK1
SCHEMBL1564905 0.88 MAPT (0.48) MAPTKMT2AHTTMEN1MAPK1
SCHEMBL1564906 0.88 MAPT (0.48) MAPTKMT2AHTTMEN1MAPK1
SCHEMBL28918759 0.84 SMN1; SMN2 (0.57) MAPTKMT2AHTTMEN1MAPK1
SCHEMBL10137052 0.82 KMT2A (0.55) MAPTKMT2AHTTMEN1MAPK1
SCHEMBL31078153 0.82 ALDH1A1 (0.59) MAPTKMT2AHTTMEN1ALDH1A1
SCHEMBL3870167 0.77 KMT2A (0.60) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL29660642 0.76 MRGPRX1 (0.52) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL10136799 0.75 P2RX7 (0.47) MAPTKMT2AHTTMAPK1RAB9A
SCHEMBL2547131 0.75 SMN1; SMN2 (0.62) MAPTKMT2AHTTMEN1MAPK1

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-12528802-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-20 US disclosed
US-20220274982-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-01 US disclosed
EP-4005638-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 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 (2 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-12528802-B2 Heterocyclic compound GBA2, GBA1, GALC MAPT 2291/4885KMT2A 778/4885HTT 182/4885
US-20220274982-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC MAPT 772/4885KMT2A 540/4885HTT 82/4885

“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.