SCHEMBL2339913

SCHEMBL2339913

CC(C#N)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ACHE P22303 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AOC3 Q16853 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MTOR P42345 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL31377021 1.00 HDAC4 (0.41) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL14415710 0.81 AOC3 (0.41) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL5150149 0.81 AOC3 (0.41) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL14415707 0.81 AOC3 (0.41) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL24296569 0.80 ACHE (0.45) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL97560 0.80 CES2 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL689304 0.79 HDAC4 (0.42) HDAC4CYP11B1CYP11B2
SCHEMBL8657495 0.79 HDAC4 (0.43) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL3556521 0.78 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL6557765 0.78 ALDH1A1 (0.47) ACHEAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663960-B1 AMIDINES AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2011-08-24 EP disclosed
US-7674806-B2 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-03-09 US disclosed
US-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A (IT) 2007-07-05 US disclosed
CN-1882530-A Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2006-12-20 CN disclosed
EP-1663960-A2 AMIDINES AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2006-06-07 EP disclosed
WO-2005028425-A2 AMIDINES AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ PHA.R.MA S.P.A. (IT) 2005-03-31 WO disclosed
CN-1153568-C Compounds active at a novel side on receptor-operated calcium channel useful for treatment of neurological disorders NPSҩ�����޹�˾ 2004-06-16 CN disclosed
CN-1088585-C Compound active at a novel site on receptor-operated calcium channels usefull for treatment of neurological disorders and diseases NPS PHARMACEUTICAL CO LTD (US) 2002-08-07 CN disclosed
EP-0912494-A1 COUMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
WO-1998056752-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1998-12-17 WO disclosed
CN-1192679-A Compounds active at a novel side on receptor-operated calcium channel useful for treatment of neurological disorders N P S PHARMACEUTICALS INC (US) 1998-09-09 CN disclosed
WO-1997046511-A1 COUMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1997-12-11 WO disclosed
CN-1148337-A Compound active at a novel site on receptor-operated calcium channels usefull for treatment of neurological disorders and diseases NPS PHARMACEUTICAL CO LTD (US) 1997-04-23 CN disclosed
EP-0743853-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1996-11-27 EP disclosed
WO-1995021612-A2 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1995-08-17 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 (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-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them MMP8, CXCL8, MPO HDAC4 2904/4885HDAC7 1267/4885HDAC5 2104/4885

“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.