SCHEMBL22729677

SCHEMBL22729677

CCOc1ccccc1NC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 2/20 0.53
RXFP1 Q9HBX9 3/20 0.52
POLB P06746 2/20 0.52
MRGPRX1 Q96LB2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29839358 1.00 MAPT (0.53) MAPTLMNATP53RXFP1POLB
SCHEMBL22729676 0.89 TDP1 (0.53) MAPTLMNATP53RXFP1POLB
SCHEMBL29839333 0.88 KMT2A (0.50) MAPTHSD17B10KDM4EMEN1KMT2A
SCHEMBL22729733 0.88 KMT2A (0.50) MAPTHSD17B10KDM4EMEN1KMT2A
SCHEMBL22729752 0.84 ALDH1A1 (0.47) MAPTLMNATP53RXFP1HSD17B10
SCHEMBL29839397 0.84 ALDH1A1 (0.47) MAPTLMNATP53RXFP1HSD17B10
SCHEMBL22754920 0.82 HSD17B10 (0.52) MAPTTP53RXFP1POLBMRGPRX1
SCHEMBL22729472 0.78 RAB9A (0.55) LMNATP53HSD17B10KDM4EMEN1
SCHEMBL22729503 0.76 KMT2A (0.42) MAPTLMNATP53POLBMEN1
SCHEMBL11600983 0.75 MAPT (0.70) MAPTRXFP1POLBMRGPRX1HSD17B10

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 MAPT 356/4885LMNA 695/4885TP53 3839/4885

“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.