SCHEMBL7745152

SCHEMBL7745152

CC(C)CSc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
NPC1 O15118 3/20 0.72
POLB P06746 2/20 0.72
BCHE P06276 1/20 0.67
CYP1A2 P05177 2/20 0.61
CYP2E1 P05181 2/20 0.61
CYP2C8 P10632 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2B6 P20813 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP3A4 P08684 1/20 0.61
EPHX2 P34913 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 2/20 0.58
AR P10275 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.56
TXN P10599 1/20 0.55

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
SCHEMBL8429703 0.87 RAB9A (0.77) RAB9ASMN1; SMN2NPC1POLBBCHE
SCHEMBL12956345 0.87 RAB9A (0.77) RAB9ASMN1; SMN2NPC1POLBBCHE
SCHEMBL13850687 0.86 RAB9A (0.75) RAB9ASMN1; SMN2NPC1POLBBCHE
Hydrochloric Acid SCHEMBL9096594 0.86 RAB9A (0.75) RAB9ASMN1; SMN2NPC1POLBBCHE
SCHEMBL7284923 0.84 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2NPC1POLBBCHE
SCHEMBL7284917 0.84 RAB9A (0.73) RAB9ASMN1; SMN2NPC1POLBBCHE
SCHEMBL12195165 0.83 RAB9A (0.71) RAB9ASMN1; SMN2NPC1POLBBCHE
SCHEMBL10821280 0.82 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1POLBBCHE
SCHEMBL31175737 0.81 BCHE (0.73) RAB9ASMN1; SMN2NPC1POLBBCHE
SCHEMBL7998438 0.81 BCHE (0.73) RAB9ASMN1; SMN2NPC1POLBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ALLA CHEM, LLC (US) 2011-10-06 US disclosed
US-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ALLA CHEM, LLC (US) 2011-10-06 US disclosed
WO-2010074607-A2 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE АЛЛА XEM, ЛЛС (US) 2010-07-01 WO disclosed
US-20090118334-A1 METHOD OF TREATMENT OF CARDIAC AND/OR RENAL FAILURE USING A CALCIUM CHANNEL BLOCKER AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR OR AN ANGIOTENSIN II RECEPTOR BLOCKER DIAKRON PHARMACEUTICALS, INC. (US) 2009-05-07 US disclosed
US-7235570-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2007-06-26 US disclosed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 US disclosed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 US disclosed
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
EP-0655992-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 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-20090118334-A1 METHOD OF TREATMENT OF CARDIAC AND/OR RENAL FAILURE USING A CALCIUM CHANNEL BLOCKER AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR OR AN ANGIOTENSIN II RECEPTOR BLOCKER AGTR2, ACE, AGTR1 RAB9A 2789/4885SMN1; SMN2 3210/4885NPC1 2119/4885
US-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ADH1C, ADH1A, ADH5 RAB9A 4196/4885SMN1; SMN2 3094/4885NPC1 1472/4885

“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.