SCHEMBL6782825

SCHEMBL6782825

O=Cc1cc(Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.42
VCAM1 P19320 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL6781658 0.88 RECQL (0.46) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL10477862 0.86 MEN1 (0.44) MEN1KMT2AMAPTL3MBTL1CYP3A4
SCHEMBL40312 0.83 MAPK1 (0.60) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL29546973 0.83 MAPK1 (0.60) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL6785731 0.81 ALDH1A1 (0.47) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL3498042 0.81 TSHR (0.49) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL6785285 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTCYP3A4HPGD
SCHEMBL7668707 0.79 MAPT (0.47) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL12196693 0.78 ALDH1A1 (0.46) MAPK1MEN1KMT2AMAPTCYP3A4
SCHEMBL27623490 0.78 MAPK1 (0.53) TSHRMAPK1MAPTL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG TSHR 3713/4885MAPK1 18/4885MEN1 4326/4885

“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.