SCHEMBL22729772

SCHEMBL22729772

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(c4ccccc4Cl)CC3)cn(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MGLL Q99685 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 3/20 0.38
TRPA1 O75762 1/20 0.38
TP53 P04637 1/20 0.37
UBE2M P61081 1/20 0.37

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
SCHEMBL29839360 1.00 ALDH1A1 (0.42) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22729626 0.85 ALDH1A1 (0.47) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22729440 0.83 PROKR1 (0.44) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL23116414 0.83 SCD (0.51) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22729425 0.81 TP53 (0.47) ALDH1A1HPGDMAPTSMN1; SMN2TSHR
SCHEMBL22729758 0.80 PROKR1 (0.53) LMNAMGLLTP53
SCHEMBL22729684 0.78 SPR (0.44) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22729693 0.78 CYP2C9 (0.61) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL22729412 0.78 SCD (0.50) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22729771 0.77 HTT (0.44) ALDH1A1HPGDMAPTNPSR1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ALDH1A1 2626/4885HPGD 1589/4885MAPT 356/4885

“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.