SCHEMBL30698940

SCHEMBL30698940

CNc1cc(Br)ncc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
GALR2 O43603 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.41
HCAR3 P49019 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1585679 1.00 POLB (0.42) POLBLMNAGALR2SMN1; SMN2MAPT
SCHEMBL1337856 0.88 HCAR3 (0.45) POLBLMNAGALR2SMN1; SMN2MAPT
SCHEMBL30789457 0.88 HCAR3 (0.45) POLBLMNAGALR2SMN1; SMN2MAPT
SCHEMBL28179871 0.83 ALDH1A1 (0.36) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL15740573 0.82 MAPT (0.46) POLBLMNASMN1; SMN2MAPTHCAR3
SCHEMBL5065720 0.82 MAPT (0.45) LMNASMN1; SMN2MAPTHCAR3ALDH1A1
SCHEMBL15740545 0.82 ALDH1A1 (0.35) POLBLMNAGALR2SMN1; SMN2KMT2A
SCHEMBL15184446 0.81 HCAR3 (0.45) POLBLMNAGALR2SMN1; SMN2MAPT
SCHEMBL15173490 0.79 POLB (0.42) POLBLMNAGALR2SMN1; SMN2MAPT
SCHEMBL19013400 0.77 HCAR3 (0.50) SMN1; SMN2MAPTKMT2AHCAR3ALDH1A1

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-12606533-B2 3-phenylpropylamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-04-21 US disclosed
US-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-11-20 US disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 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 (2 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-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE SF1, SF3A1, SFXN1 POLB 4399/4885LMNA 4704/4885GALR2 747/4885
US-12606533-B2 3-phenylpropylamine derivative SF3A1, SF1, HTR1D POLB 4295/4885LMNA 3130/4885GALR2 263/4885

“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.