SCHEMBL30643106

SCHEMBL30643106

CN(C)Cc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 3/20 0.42
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
PDE4A P27815 1/20 0.40
BLM P54132 1/20 0.40
PDE1B Q01064 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL24723083 0.88 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL1684411 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL2174996 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL9416708 0.80 GPR35 (0.51) ALDH1A1TDP1TSHRCYP1A2POLB
SCHEMBL13159490 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL12431422 0.80 HSD17B10 (0.55) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL2173166 0.79 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL30468473 0.79 CYP1A2 (0.45) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL3379806 0.79 CYP1A2 (0.45) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL4532457 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRPOLB

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
EP-4519267-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-03-12 EP disclosed
US-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-02-27 US disclosed
CN-119156389-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-12-17 CN disclosed
WO-2023213271-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-11-09 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-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CDK1, CDK2, CDK4 ALDH1A1 3122/4885CYP3A4 1602/4885TDP1 1136/4885

“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.