SCHEMBL5595098

SCHEMBL5595098

CCCc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.60
ERN1 O75460 1/20 0.49
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 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
SCHEMBL2016391 0.90 GPR35 (0.56) GPR35ERN1TDP1TSHRALDH1A1
SCHEMBL4854222 0.87 GPR35 (0.67) GPR35ERN1TDP1TSHRALDH1A1
SCHEMBL8402772 0.87 GPR35 (0.53) GPR35ERN1MAPT
SCHEMBL30096036 0.83 ALDH1A1 (0.62) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL681694 0.83 ALDH1A1 (0.62) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL5496520 0.83 GPR35 (0.60) GPR35ERN1TDP1TSHRALDH1A1
SCHEMBL11306648 0.82 GPR35 (0.69) GPR35ERN1TDP1TSHRALDH1A1
SCHEMBL9641198 0.81 TSHR (0.55) GPR35TDP1TSHRALDH1A1MEN1
SCHEMBL27671751 0.80 GPR35 (0.67) GPR35ERN1TDP1TSHRALDH1A1
SCHEMBL8405961 0.80 GPR35 (0.56) GPR35ERN1TSHRALDH1A1CRHBP

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN disclosed
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed
EP-0253340-B1 ALKYL-SUBSTITUTED BENZOXAZINORIFAMYCIN DERIVATIVE, PROCESS FOR PREPARING THE SAME AND ANTIBACTERIAL AGENT CONTAINING THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed
CN-1018833-B Alkyl substituted benzoxazinorifamycin derivatives KANEGAFUCHI CHEMICAL IND (JP) 1992-10-28 CN disclosed
US-4859661-A Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-08-22 US disclosed
CN-87104870-A Benzoxazinnorifamyciderivative derivative, its preparation method that alkyl replaces and contain the antiseptic-germicide of this derivative 1988-02-17 CN disclosed
EP-0253340-A1 Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-20 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN GPR35 188/4885ERN1 1422/4885TDP1 3982/4885

“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.