SCHEMBL3201183

SCHEMBL3201183

O=[N+]([O-])c1ccc2[nH]c(-c3ccc[nH]3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.51
RAB9A P51151 9/20 0.51
MAPT P10636 8/20 0.51
NPC1 O15118 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HTT P42858 4/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.47
METAP1 P53582 1/20 0.47

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
SCHEMBL4497810 0.80 NPBWR1 (0.65) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4814783 0.79 RAB9A (0.60) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2308775 0.79 NPBWR1 (0.79) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2053008 0.79 AMY1A (0.41) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL5566197 0.79 NPC1 (0.78) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28761269 0.78 RAB9A (0.80) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4487881 0.77 MMP2 (0.66) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL27846436 0.76 CYP1A2 (0.56) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2967008 0.76 NPBWR1 (0.57) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5204081 0.76 F7 (0.54) NPBWR1RAB9AMAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362072-B2 BRCA1-based breast or ovarian cancer treatment agents and methods of use UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
US-8362072-B2 BRCA1-based breast or ovarian cancer treatment agents and methods of use UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
US-20120259005-A1 BRCA1-Based Breast or Ovarian Cancer Prevention Agents and Methods of Use UNIVERSITY OF KANSAS (US) 2012-10-11 US disclosed
US-20120259005-A1 BRCA1-Based Breast or Ovarian Cancer Prevention Agents and Methods of Use UNIVERSITY OF KANSAS (US) 2012-10-11 US disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-20090170842-A1 BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE UNIVERSITY OF KANSAS (US) 2009-07-02 US disclosed
US-20090170842-A1 BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE UNIVERSITY OF KANSAS (US) 2009-07-02 US disclosed
WO-2009065028-A2 BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE UNIVERSITY OF KANSAS (US) 2009-05-22 WO disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 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 (4 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 NPBWR1 323/4885RAB9A 2198/4885MAPT 4542/4885
US-20120259005-A1 BRCA1-Based Breast or Ovarian Cancer Prevention Agents and Methods of Use BRCA1, BRAP, BCCIP NPBWR1 1767/4885RAB9A 2880/4885MAPT 3769/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPBWR1 323/4885RAB9A 2198/4885MAPT 4542/4885
US-20090170842-A1 BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE BRCA1, BRAP, BCCIP NPBWR1 1769/4885RAB9A 2889/4885MAPT 3796/4885

“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.