SCHEMBL30214720

SCHEMBL30214720

COc1cc(C(F)(F)F)ccc1C(=O)c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN8A Q9UQD0 7/20 0.41
SCN10A Q9Y5Y9 7/20 0.41
RORB Q92753 1/20 0.40
CFTR P13569 1/20 0.40
SORT1 Q99523 1/20 0.40
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
BRAF P15056 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL9500830 0.82 NPC1 (0.56) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL29276233 0.75 RORB (0.43) NPC1RAB9AKDM4EUSP2ALDH1A1
SCHEMBL2717104 0.74 NPC1 (0.67) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL30214801 0.73 KDM4E (0.43) NPC1RAB9AKDM4EUSP2ALDH1A1
SCHEMBL422034 0.73 ALDH1A1 (0.71) NPC1RAB9AKDM4EUSP2ALDH1A1
SCHEMBL20384958 0.73 KDM4E (0.58) NPC1RAB9AKDM4EUSP2ALDH1A1
SCHEMBL24901813 0.72 CFTR (0.67) NPC1RAB9AKMT2AKDM4EUSP2
SCHEMBL1003490 0.72 CFTR (0.54) NPC1RAB9AKDM4EUSP2ALDH1A1
SCHEMBL426613 0.72 KDM4E (0.53) NPC1RAB9AKDM4EUSP2ALDH1A1
SCHEMBL697260 0.72 NPC1 (0.50) NPC1RAB9AKMT2AKDM4EALDH1A1

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-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO 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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 NPC1 122/4885RAB9A 2196/4885KMT2A 3990/4885

“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.