SCHEMBL4605520

SCHEMBL4605520

O=[N+]([O-])c1cccc(Cc2nnn[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ADORA2A P29274 1/20 0.50
CYP19A1 P11511 1/20 0.48
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
RIPK1 Q13546 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PARP1 P09874 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4836695 0.82 POLB (0.51) TSHRLMNAALDH1A1POLBRIPK1
SCHEMBL8773928 0.78 CRHBP (0.39) LMNAALDH1A1HTTRIPK1MEN1
SCHEMBL8773924 0.78 CRHBP (0.39) LMNAALDH1A1HTTRIPK1MEN1
SCHEMBL10918542 0.78 TSHR (0.71) TSHRCYP19A1LMNAALDH1A1HTT
SCHEMBL8824655 0.77 MAPT (0.52) TSHRALDH1A1POLBMEN1MAPT
SCHEMBL8534580 0.76 GAA (0.43) ALDH1A1HTTPOLBMEN1MAPT
SCHEMBL9911071 0.75 DAO (0.43) ALDH1A1POLBKDM4ETDP1
SCHEMBL31422574 0.75 DAO (0.31)
SCHEMBL17911903 0.74 TAAR1 (0.55) TSHRADORA2ACYP19A1LMNAALDH1A1
SCHEMBL10965025 0.74 TSHR (0.34) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
CN-101296911-A Arylurea derivatives as modulators of chemokine receptor activity NOVARTIS AG (CH) 2008-10-29 CN disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed
CN-1074216-A Urea derivative GLAXO GROUP LTD (GB) 1993-07-14 CN disclosed
WO-1993008175-A1 BENZODIAZEPINE DERIVATIVES AS ANTAGONISTS OF GASTRIN AND/OR CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1993-04-29 WO disclosed
EP-0538945-A1 Benzodiazepine derivatives, and their use as antagonists of gastrin and/or cholecystokinin GLAXO GROUP LIMITED (GB) 1993-04-28 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 TSHR 1110/4885ADORA2A 678/4885CYP19A1 3315/4885

“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.