SCHEMBL12415783

SCHEMBL12415783

N#CCc1ccc([N+](=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ENPP2 Q13822 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
PKM P14618 2/20 0.34

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
SCHEMBL398128 0.79 GAA (0.59) L3MBTL1GAAALDH1A1POLBHPGD
SCHEMBL2154504 0.76 KMT2A (0.47) L3MBTL1GAAKMT2ALMNAMAPT
Nitric Acid SCHEMBL27808463 0.73 ALDH1A1 (0.50) L3MBTL1GAAKMT2ALMNAMAPT
SCHEMBL15630260 0.73 TSHR (0.43) ALDH1A1TSHRCYP2C19LOXL2
SCHEMBL12640633 0.71 ALDH1A1 (0.46) KMT2AMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL13981949 0.71 CES2 (0.42) ALDH1A1POLBTSHRCYP2C19LOXL2
SCHEMBL4005403 0.70 KMT2A (0.44) L3MBTL1KMT2ALMNAMAPTHTT
SCHEMBL448467 0.70 MMP3 (0.57) L3MBTL1KMT2ALMNAMAPTNPC1
SCHEMBL5323933 0.70 KMT2A (0.49) L3MBTL1KMT2ALMNAMAPTHTT
SCHEMBL23137321 0.69 MMP3 (0.50) L3MBTL1KMT2AENPP2TSHRPKM

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-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 US 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-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH4 L3MBTL1 4623/4885GAA 669/4885KMT2A 965/4885

“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.