SCHEMBL3582558

SCHEMBL3582558

O=C1Cc2cc(Cc3ccc([N+](=O)[O-])cc3)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.56
GAA P10253 1/20 0.52
TDP2 O95551 3/20 0.49
AHR P35869 1/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAOB P27338 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL19954 0.84 PGR (0.71) PGRGAATDP2AHRMEN1
SCHEMBL6904021 0.81 AHR (0.53) PGRAHRMAOBPDE3BPDE3A
SCHEMBL7116155 0.81 GAA (0.58) PGRGAATDP2AHRMAOB
SCHEMBL3574516 0.80 AHR (0.50) PGRGAATDP2AHRCA9
SCHEMBL3579843 0.77 TDP2 (0.58) PGRGAATDP2POLBCA12
Oxindole SCHEMBL27763978 0.76 AHR (0.70) PGRGAATDP2AHRMEN1
SCHEMBL5498959 0.76 PGR (0.48) PGRGAAAHRMAOBPDE3B
SCHEMBL8198247 0.76 PGR (0.61) PGRGAATDP2AHRMEN1
SCHEMBL10080664 0.76 GAA (0.75) PGRGAAPOLBMEN1KMT2A
SCHEMBL30946048 0.75 MAOB (0.56) PGRGAAAHRMAOBPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PGR 795/4885GAA 1736/4885TDP2 1778/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PGR 1704/4885GAA 1455/4885TDP2 1276/4885

“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.