SCHEMBL3884854

SCHEMBL3884854

Cc1cc(COc2ccc(Cl)cc2CN)on1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ CCR5 P51681 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ NOS1 P29475 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38

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
SCHEMBL29573973 1.00 KMT2A (0.57) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL13620914 0.88 KMT2A (0.58) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL29034428 0.79 KMT2A (0.57) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL6212079 0.77 MEN1 (0.52) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL14008076 0.77 PTGER1 (0.58) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL4923103 0.76 PTGER1 (0.68) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL4029373 0.76 MEN1 (0.60) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
SCHEMBL6213049 0.75 CCR5 (0.48) KMT2AMRGPRX4RAB9ANPC1CCR5
SCHEMBL4919353 0.74 PTGER1 (0.52) KMT2AMEN1ALDH1A1MRGPRX4RAB9A
Hydrochloric Acid SCHEMBL6213801 0.74 MEN1 (0.50) KMT2AMEN1MRGPRX4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281126-A1 Organic Compounds NOVARTIS AG 2009-11-12 — — US disclosed
CN-101426785-A Adenosine A3 receptor agonists NOVARTIS AG (CH) 2009-05-06 — — CN disclosed
EP-2013199-A1 ADENOSINE A3 RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 — — EP disclosed
WO-2007147659-A1 ADENOSINE A3 RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-12-27 — — WO disclosed
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 — — EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 — — US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 — — US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 — — EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 — — WO 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-20090281126-A1 Organic Compounds CYP3A43, CYP3A4, CYP2C19 KMT2A 3422/4885MEN1 333/4885ALDH1A1 86/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 KMT2A 4722/4885MEN1 4830/4885ALDH1A1 1085/4885

“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.

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