SCHEMBL14561900

SCHEMBL14561900

O=[N+]([O-])c1ccc(C=C(Br)Br)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ GPR35 Q9HC97 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAPT P10636 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ HIF1A Q16665 1/20 0.49
▸ TXNRD1 Q16881 2/20 0.47
▸ TXNRD3 Q86VQ6 2/20 0.47
▸ TXNRD2 Q9NNW7 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL30657510 0.81 ATM (0.49) ALDH1A1MAPTTDP1HIF1ANPSR1
SCHEMBL20338410 0.81 ATM (0.49) ALDH1A1MAPTTDP1HIF1ANPSR1
SCHEMBL4019895 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL4019892 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL25299940 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL11158154 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL13767769 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL21865015 0.79 EGFR (0.60) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL203753 0.78 ERN1 (0.59) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL3303847 0.77 ALDH1A1 (0.57) ALDH1A1MAPK1GPR35TP53HPGD

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
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 — — US disclosed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 — — US disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 — — WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 — — EP 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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 ALDH1A1 12/4885MAPK1 77/4885GPR35 3905/4885

“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.

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