SCHEMBL2853604

SCHEMBL2853604

C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
CYP3A4 P08684 10/20 0.57
TSHR P16473 7/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ACHE P22303 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.49
KLK8 O60259 1/20 0.49
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
KLK4 Q9Y5K2 1/20 0.49
KLK1 P06870 1/20 0.49

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
SCHEMBL6558237 1.00 ATM (0.57) ATMCYP3A4TSHRCA1CA2
SCHEMBL4444864 0.89 ATM (0.60) ATMCYP3A4TSHRCA1CA2
SCHEMBL2851564 0.89 ATM (0.60) ATMCYP3A4TSHRCA1CA2
SCHEMBL2851560 0.89 ATM (0.60) ATMCYP3A4TSHRCA1CA2
Hydrochloric Acid SCHEMBL2853610 0.88 ATM (0.59) ATMCYP3A4TSHRCA1CA2
Hydrochloric Acid SCHEMBL2853606 0.88 ATM (0.59) ATMCYP3A4TSHRCA1CA2
SCHEMBL8530402 0.87 ATM (0.68) ATMCYP3A4TSHRALDH1A1MEN1
SCHEMBL21469067 0.87 ATM (0.68) ATMCYP3A4TSHRALDH1A1MEN1
SCHEMBL30460502 0.87 ATM (0.68) ATMCYP3A4TSHRALDH1A1MEN1
SCHEMBL21399728 0.87 CYP3A4 (0.64) ATMCYP3A4TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1378247-B1 VISUAL FUNCTION DISORDER IMPROVING AGENTS SENJU PHARMA CO (JP) 2016-08-24 EP disclosed
EP-1391454-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP disclosed
US-7696194-B2 treating with fasudil hydrochloride; enzyme inhibitor of Rho kinase; promoting regeneration of an optic nerve cell SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-13 US disclosed
US-7109208-B2 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
US-20060148852-A1 Visual function disorder improving agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-07-06 US disclosed
US-20040106646-A1 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1378247-A1 VISUAL FUNCTION IMPROVING AGENTS Senju Pharmaceutical Co., Ltd. (JP) 2004-01-07 EP disclosed
EP-0757038-B1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-11-26 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 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-20040106646-A1 Visual function disorder improving agents ARHGDIA, GAP43, RHOT2 ATM 3841/4885CYP3A4 4867/4885TSHR 3361/4885
US-20060148852-A1 Visual function disorder improving agents GAP43, ARHGDIA, RHOT2 ATM 3926/4885CYP3A4 4869/4885TSHR 3849/4885

“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.