SCHEMBL22729653

SCHEMBL22729653

COc1ccccc1-n1cc(C)c2c(c(C(=O)NC(C)C(F)(F)F)cn2C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
F2 P00734 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRPF1 P55201 3/20 0.36
BRD4 O60885 1/20 0.36
BRD1 O95696 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BRPF3 Q9ULD4 1/20 0.36
MAPT P10636 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL29839376 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDF2SMN1; SMN2
SCHEMBL22729546 0.82 KMT2A (0.46) ALDH1A1HPGDRAB9ABRPF1MAPT
SCHEMBL29839338 0.82 KMT2A (0.46) ALDH1A1HPGDRAB9ABRPF1MAPT
SCHEMBL22729857 0.81 ALDH1A1 (0.45) KDM4EALDH1A1HPGDF2SMN1; SMN2
SCHEMBL29839295 0.78 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2RAB9ANPSR1
SCHEMBL22729577 0.78 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2RAB9ANPSR1
SCHEMBL22729442 0.71 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL29839333 0.70 KMT2A (0.50) KDM4EALDH1A1SMN1; SMN2CYP3A4RAB9A
SCHEMBL22729733 0.70 KMT2A (0.50) KDM4EALDH1A1SMN1; SMN2CYP3A4RAB9A
SCHEMBL22729846 0.66 KDM4E (0.43) KDM4EALDH1A1HPGDF2SMN1; 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 4 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
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 KDM4E 1315/4885ALDH1A1 2626/4885HPGD 1589/4885

“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.