SCHEMBL9797804

SCHEMBL9797804

O=C(Cl)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
ALDH1A1 P00352 7/20 0.51
GPR35 Q9HC97 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
MAPT P10636 4/20 0.46
CES2 O00748 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK1 Q15118 1/20 0.43

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
SCHEMBL11597118 0.87 CYP1A2 (0.73) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL3291900 0.85 CYP1A2 (1.00) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL865986 0.85 CYP1A2 (1.00) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL11329796 0.83 NPC1 (0.52) CYP1A2ALDH1A1TSHRHPGDMAPK1
SCHEMBL3861705 0.83 HSD17B10 (0.55) CYP1A2ALDH1A1TSHRMAPK1TDP1
SCHEMBL31016518 0.83 CYP1A2 (0.79) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL29100171 0.82 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHPGDMAPK1
SCHEMBL6965987 0.82 CYP1A2 (0.50) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL3032854 0.81 CYP1A2 (0.71) CYP1A2ALDH1A1GPR35TSHRTP53
SCHEMBL19329648 0.81 CYP1A2 (0.69) CYP1A2ALDH1A1GPR35TSHRTP53

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-20160116448-A1 pH-MODULATED QUENCHERS OF FLUORESCENCE BERRY AND ASSOCIATES, INC. 2016-04-28 US disclosed
EP-0163854-B1 PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS BAYER AG (DE) 1991-02-27 EP disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 EP disclosed
US-4038253-A PHOTOCROSS-LINKABLE POLYMERS CONTAINING PENDANT DIAZOESTER GROUPS HERCULES INCORPORATED (US) 1977-07-26 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-20160116448-A1 pH-MODULATED QUENCHERS OF FLUORESCENCE NHERF1, ANXA5, ARFGEF1 CYP1A2 1767/4885ALDH1A1 323/4885GPR35 4057/4885

“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.