SCHEMBL4764865

SCHEMBL4764865

Cc1cc(-n2cncn2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
FBP1 P09467 1/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 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
SCHEMBL872573 0.82 FBP1 (0.49) FBP1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL3379193 0.82 LMNA (0.52) FBP1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL30832672 0.82 ALDH1A1 (0.56) FBP1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL12312090 0.82 ALDH1A1 (0.56) FBP1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL15156883 0.79 FBP1 (0.49) FBP1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL7473254 0.79 FBP1 (0.46) HPGDFBP1KDM4EPOLBALDH1A1
SCHEMBL15283772 0.79 KDM4E (0.44) FBP1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL7419084 0.78 KDM4E (0.46) FBP1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL11995606 0.77 ALDH1A1 (0.50) FBP1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL10179500 0.77 FBP1 (0.47) FBP1KDM4EPOLBALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed
US-4783467-A Tetrahydroimidazoquinazolinone inotropic agents PFIZER INC. (US) 1988-11-08 US disclosed
EP-0205280-A2 Tetrahydroimidazoquinazolinone cardiac stimulants Pfizer Limited (GB) 1986-12-17 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 (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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 HPGD 415/4885FBP1 2644/4885KDM4E 3146/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 HPGD 4354/4885FBP1 3662/4885KDM4E 2502/4885

“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.