SCHEMBL6406686

SCHEMBL6406686

CCOC(=O)C(C(=O)OCC)C(=O)c1cccc([N+](=O)[O-])c1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
GLA P06280 1/20 0.51
ALDH1A1 P00352 9/20 0.50
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8137056 0.89 ALDH1A1 (0.55) TSHRSMN1; SMN2GLAALDH1A1MAPT
SCHEMBL3481205 0.82 TSHR (0.64) TSHRSMN1; SMN2GLAALDH1A1MAPT
SCHEMBL6985762 0.78 TSHR (0.57) TSHRSMN1; SMN2GLAALDH1A1MAPT
SCHEMBL8144060 0.77 MAPT (0.55) SMN1; SMN2ALDH1A1MAPTKMT2AMAPK1
SCHEMBL8136193 0.77 RECQL (0.44) SMN1; SMN2ALDH1A1MAPTTDP1KMT2A
SCHEMBL11989336 0.76 TSHR (0.68) TSHRSMN1; SMN2GLAALDH1A1MAPT
SCHEMBL8139201 0.76 HPGD (0.53) SMN1; SMN2ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL13312378 0.76 HPD (0.46) SMN1; SMN2ALDH1A1MAPTTDP1KMT2A
SCHEMBL16950684 0.75 TSHR (0.71) TSHRSMN1; SMN2GLAALDH1A1TDP1
SCHEMBL8136123 0.75 POLB (0.41) SMN1; SMN2ALDH1A1MAPTKMT2AL3MBTL1

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-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US disclosed
CN-1491216-A Novel alkylphenylimidazolidine derivatives for the treatment of urinary incontinence ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-21 CN disclosed
EP-1362038-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-19 EP disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 US disclosed
WO-2002064570-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 WO disclosed
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP disclosed
US-5175299-A Benzoic acid derivatives useful as intermediates for the preparation of herbicidal 4-benzoylpyrazoles NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
US-4948887-A FOR UPLAND FIELDS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-08-14 US disclosed
US-4885022-A Herbicidal pyrazole derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-12-05 US disclosed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 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-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, ADRB2, REN TSHR 1979/4885SMN1; SMN2 560/4885GLA 2330/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R TSHR 1522/4885SMN1; SMN2 646/4885GLA 3422/4885

“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.