SCHEMBL24309705

SCHEMBL24309705

CC(C)=Cc1cc(Br)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.59
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
KMT2A Q03164 7/20 0.47
KDM4E B2RXH2 6/20 0.47
GAA P10253 4/20 0.47
CASP1 P29466 4/20 0.47
ALOX15 P16050 2/20 0.46
CASP7 P55210 2/20 0.46
MAPT P10636 5/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10400193 0.79 ERN1 (0.59) ERN1CA12CA9KMT2AKDM4E
SCHEMBL10859268 0.79 ERN1 (0.59) ERN1CA12CA9KMT2AKDM4E
SCHEMBL28909818 0.78 EGFR (0.49) KMT2AKDM4EGAAALOX15MAPT
SCHEMBL11343000 0.78 ERN1 (0.68) ERN1CA12CA9KMT2AKDM4E
SCHEMBL11343002 0.78 ERN1 (0.68) ERN1CA12CA9KMT2AKDM4E
SCHEMBL11858720 0.77 ABL1 (0.55) ERN1CA12CA9KMT2AKDM4E
SCHEMBL29180389 0.77 MAPT (0.52) KMT2AKDM4EGAAALOX15MAPT
SCHEMBL4651457 0.77 EGFR (0.42) ERN1KMT2AKDM4EALOX15MAPT
5-Bromosalicylaldehyde SCHEMBL28108942 0.75 ERN1 (0.92) ERN1CA12CA9KMT2AKDM4E
SCHEMBL3135909 0.75 SIGMAR1 (0.38) ERN1KMT2AGAACASP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ERN1 2695/4885CA12 4521/4885CA9 4353/4885

“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.