SCHEMBL31478673

SCHEMBL31478673

CC(c1cc(F)cc(F)c1)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.33
PDE2A O00408 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL21198979 0.86 CYP17A1 (0.43) SOS1ALDH1A1PKMPDE2AKDM5A
SCHEMBL2976327 0.77 PDE2A (0.54) ALDH1A1PDE2AKDM5B
SCHEMBL574245 0.76 ALDH1A1 (0.40) ALDH1A1PKML3MBTL1HTR2AHTR2C
SCHEMBL28407960 0.76 ALDH1A1 (0.40) ALDH1A1PKML3MBTL1HTR2AHTR2C
SCHEMBL31478569 0.74 KDM5A (0.33) PDE2AKDM5AKDM5BSIGMAR1
SCHEMBL25202981 0.71 HTR2A (0.48) SOS1ALDH1A1PKML3MBTL1HTR2A
SCHEMBL28290766 0.70 ALDH1A1 (0.41) ALDH1A1PKML3MBTL1HTR2AHTR2C
SCHEMBL27453998 0.70 HTR2A (0.35) ALDH1A1PKML3MBTL1HTR2AHTR2C
SCHEMBL28567016 0.69 ALDH1A1 (0.32) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL21199105 0.69 SOS1 (0.39) SOS1ALDH1A1PKML3MBTL1HTR2A

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-20250122171-A1 Substituted Amine Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. 2025-04-17 US disclosed
WO-2025064534-A1 SUBSTITUTED AMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2025-03-27 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-20250122171-A1 Substituted Amine Compounds, Compositions and Methods of Use MRGPRX2, MRGPRX1, MRGPRX4 SOS1 4397/4885ALDH1A1 2569/4885PKM 2720/4885

“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.