SCHEMBL4728649

SCHEMBL4728649

CCOC(=O)c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 2/20 0.53
MAPT P10636 7/20 0.51
CACNA1C Q13936 1/20 0.49
GALR2 O43603 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 3/20 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
SCHEMBL3481205 0.85 TSHR (0.64) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL1523174 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL11464655 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL1611630 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL308242 0.83 TSHR (0.53) ALDH1A1SMN1; SMN2HSD17B10TSHRMAPT
SCHEMBL5752237 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL8991983 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL2977262 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL4135400 0.82 THRB (0.55) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL27424975 0.82 TSHR (0.70) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008012852-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS S.I.M.S. S.r.l. - SOCIETÀ ITALIANA MEDICINALI SCANDICCI (IT) 2008-01-31 WO claimed
CN-116730871-A Synthesis method of candesartan intermediate 湖北郡泰医药化工有限公司 2023-09-12 CN disclosed
WO-2008012852-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS S.I.M.S. S.r.l. - SOCIETÀ ITALIANA MEDICINALI SCANDICCI (IT) 2008-01-31 WO disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed
US-6737421-B1 4-CARBOXYAMIDO SUBSTITUTED; NEURODEGENERATIVE DISEASES; NEURONAL DAMAGE ABBOTT GMBH & CO. KG (DE) 2004-05-18 US disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed
WO-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 ALDH1A1 2550/4885SMN1; SMN2 2642/4885GAA 58/4885

“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.