SCHEMBL6715531

SCHEMBL6715531

Nc1ccc(Cl)cc1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
PDE7A Q13946 3/20 0.55
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
CTSD P07339 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNMA1 Q12791 1/20 0.47
FADS1 O60427 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
SCHEMBL8575758 0.84 CTSD (0.57) PDE7AALDH1A1MAPTCTSDHTT
SCHEMBL13240120 0.84 RECQL (0.65) RECQLALDH1A1MAPTLMNAPOLB
SCHEMBL975117 0.80 ALDH1A1 (0.68) ALDH1A1MAPTCTSDHTTTDP1
SCHEMBL9540049 0.80 RECQL (0.79) RECQLALDH1A1TDP1FADS1
SCHEMBL25413293 0.79 VCAM1 (0.57) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL31366649 0.79 VCAM1 (0.57) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL11295994 0.78 PHGDH (0.57) ALDH1A1MAPTCTSDPOLB
Methylamine SCHEMBL27483022 0.78 MAPK1 (0.54) ALDH1A1LMNAPOLBHTT
SCHEMBL29516764 0.78 RECQL (1.00) RECQLALDH1A1MAPTLMNAPOLB
SCHEMBL333313 0.78 RECQL (1.00) RECQLALDH1A1MAPTLMNAPOLB

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
EP-1213332-B1 Recording liquid, ink jet recording method and recording equipment using the same RICOH KK (JP) 2004-04-28 EP disclosed
US-20040039001-A1 2-guanidino-4-aryl-quinazoline MERCK PATENT GMH (DE) 2004-02-26 US disclosed
EP-1315704-A1 2-GUANIDINO-4-ARYL-QUINAZOLINE MERCK PATENT GmbH (DE) 2003-06-04 EP disclosed
EP-1213332-A1 Recording liquid, ink jet recording method and recording equipment using the same Ricoh Company, Ltd. (JP) 2002-06-12 EP disclosed
WO-2002020496-A1 2-GUANIDINO-4-ARYL-QUINAZOLINE MERCK PATENT GMBH (DE) 2002-03-14 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-20040039001-A1 2-guanidino-4-aryl-quinazoline NHERF1, SLC9A3, SLC9A5 RECQL 459/4885PDE7A 438/4885ALDH1A1 1311/4885

“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.