SCHEMBL4899731

SCHEMBL4899731

CCOc1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 1/20 0.67
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
MAPK1 P28482 3/20 0.50
RECQL P46063 1/20 0.50
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL9157246 0.87 MAPT (0.62) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL6677275 0.84 MAPT (0.73) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL2986961 0.84 MAPT (0.48) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL1981549 0.83 MAPT (0.51) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL30199709 0.82 ALDH1A1 (0.53) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL228082 0.82 ALDH1A1 (0.53) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL5004832 0.81 ALDH1A1 (0.69) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL22291692 0.81 MAPT (0.69) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL9200645 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL2987569 0.80 TLR4 (0.53) MAPTLMNARAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351570-B2 Disubstituted alkyne derivatives MERCK PATENT GMBH (DE) 2025-07-08 US disclosed
US-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. 2025-01-23 US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO disclosed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
US-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2008-06-05 US disclosed
EP-1611128-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR Pharmacia & Upjohn Company LLC (US) 2006-01-04 EP disclosed
WO-2004085433-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-07 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 (4 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-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K KRAS, HRAS, NRAS MAPT 4348/4885ALDH1A1 4625/4885LMNA 3764/4885
US-12351570-B2 Disubstituted alkyne derivatives BRCA1, MYC, PCNA MAPT 3982/4885ALDH1A1 414/4885LMNA 1582/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA MAPT 3982/4885ALDH1A1 414/4885LMNA 1582/4885
US-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNA7, CHRNA5 MAPT 1408/4885ALDH1A1 2361/4885LMNA 3496/4885

“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.