SCHEMBL30729633

SCHEMBL30729633

COC(=O)c1cc(C(F)(F)F)c(Cl)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.47
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NOTUM Q6P988 4/20 0.42
KDM4E B2RXH2 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
SDHB P21912 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SOS1 Q07889 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL26915090 1.00 CFTR (0.47) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24241153 0.79 NOTUM (0.45) CFTRMAPTNPC1L3MBTL1NOTUM
SCHEMBL30397234 0.79 NOTUM (0.45) CFTRMAPTNPC1L3MBTL1NOTUM
SCHEMBL15920408 0.79 CFTR (0.57) CFTRMAPTNOTUMKDM4EALDH1A1
SCHEMBL31214243 0.78 CFTR (0.41) CFTRMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL31214194 0.78 CFTR (0.41) CFTRMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL31336475 0.78 GAA (0.43) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26607002 0.78 GAA (0.43) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31459616 0.78 KEAP1 (0.62) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL113592 0.78 KEAP1 (0.62) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 US disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 CFTR 682/4885MAPT 4774/4885NPC1 1967/4885

“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.