SCHEMBL25359695

SCHEMBL25359695

COC(=O)c1nc(Br)c(Br)cc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
CFTR P13569 8/20 0.43
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
PKM P14618 2/20 0.37
RCE1 Q9Y256 1/20 0.37
ABL1 P00519 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
SCHEMBL31752450 0.85 NPSR1 (0.44) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL30475032 0.85 NPSR1 (0.44) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL18405257 0.85 NPSR1 (0.44) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL25305744 0.85 NPSR1 (0.44) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL28495356 0.83 NPSR1 (0.42) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL30218091 0.83 NPSR1 (0.42) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL4772527 0.83 NQO2 (0.45) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL25096003 0.83 NPSR1 (0.42) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL318846 0.83 CFTR (0.44) NPSR1CFTRKDM4EALDH1A1HSD17B10
SCHEMBL25263446 0.80 CFTR (0.48) NPSR1CFTR

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-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-04-17 US disclosed
EP-4476230-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 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-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NPSR1 3829/4885CFTR 1/4885KDM4E 4100/4885

“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.