SCHEMBL7250779

SCHEMBL7250779

O=c1[nH]c2ccc([N+](=O)[O-])cc2c2c(O)cccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.66
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
FASN P49327 1/20 0.56
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
TNKS O95271 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48

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
SCHEMBL7251935 0.85 PARP1 (0.68) PARP1CA12CA9FASNCTSV
SCHEMBL7251641 0.84 PARP1 (0.66) PARP1CA12CA9FASNCTSV
SCHEMBL7256590 0.84 PARP1 (0.66) PARP1CA12CA9FASNCTSV
SCHEMBL7251898 0.84 PARP1 (0.66) PARP1CA12CA9FASNCTSV
SCHEMBL899132 0.80 PARP1 (1.00) PARP1CA12CA9FASNCTSV
SCHEMBL7585508 0.77 PARP1 (0.62) PARP1CA12CA9TNKSTNKS2
SCHEMBL9389021 0.77 PARP1 (0.60) PARP1CA12CA9FASNCTSV
SCHEMBL7250753 0.77 KDM4E (0.52) PARP1CA12CA9TNKSTNKS2
SCHEMBL11365834 0.77 PARP1 (0.72) PARP1CA12CA9FASNCTSV
SCHEMBL8895896 0.74 GRIN2D (0.66) PARP1CA12CA9FASNCTSV

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-20030105102-A1 Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity GUILFORD PHARMACEUTICALS INC. 2003-06-05 US claimed
US-20020022636-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. 2002-02-21 US claimed
EP-1009739-A2 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-06-21 EP claimed
WO-1999011624-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 WO claimed
US-6235748-B1 CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-05-22 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 (2 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-20020022636-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY PARP2, PARP1, PARP3 PARP1 2/4885CA12 1479/4885CA9 229/4885
US-20030105102-A1 Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity PARP1, PARP3, PARP2 PARP1 1/4885CA12 1774/4885CA9 272/4885

“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.