SCHEMBL5953539

SCHEMBL5953539

Fc1cc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)ccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.52
PDE10A Q9Y233 1/20 0.46
SCD O00767 5/20 0.44
RET P07949 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
FADS1 O60427 1/20 0.43
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERBB2 P04626 1/20 0.41
CDK1 P06493 1/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5951902 0.89 RET (0.48) HDAC6PDE10ASCDRETFADS1
SCHEMBL4916396 0.88 PDE10A (0.53) PDE10ASCDRETCYP1A2CYP3A4
SCHEMBL5952146 0.88 PDE10A (0.53) PDE10ASCDRETCYP1A2CYP3A4
SCHEMBL5952104 0.85 NPC1 (0.52) PDE10ARETSMN1; SMN2ERBB2CDK1
SCHEMBL5952574 0.83 CACNA1B (0.46) PDE10ARETCYP3A4LMNAHPGD
SCHEMBL5953158 0.81 PDE10A (0.51) PDE10AHPGDSMN1; SMN2KDRKDM4E
SCHEMBL5953027 0.81 CDK4 (0.61) PDE10ASCDSMN1; SMN2KDRF9
SCHEMBL5952578 0.81 MEN1 (0.51) PDE10ASCDCYP3A4HPGDSMN1; SMN2
SCHEMBL5952326 0.81 NMT1 (0.50) PDE10ARETSMN1; SMN2ERBB2CDK1
SCHEMBL5953232 0.80 ITK (0.52) PDE10ASCDSMN1; SMN2KDRDGAT1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518100-B1 HYDROPHILIC POLYMER COMPOUND HAVING ANTICOAGULATION EFFECT TORAY INDUSTRIES (JP) 2015-02-18 EP claimed
US-20140142613-A1 INSTRUMENT FOR CAPTURING FREE THROMBI TORAY INDUSTRIES, INC. (JP) 2014-05-22 US claimed
US-20140121181-A1 HYDROPHOBIC POLYMER COMPOUND HAVING ANTICOAGULANT EFFECT TORY INDUSTRIES, INC. (JP) 2014-05-01 US claimed
EP-2724733-A1 HYDROPHOBIC POLYMER COMPOUND HAVING ANTICOAGULANT EFFECT Toray Industries, Inc. (JP) 2014-04-30 EP claimed
EP-2724735-A1 MEDICAL SUPPLY Toray Industries, Inc. (JP) 2014-04-30 EP claimed
EP-2724732-A1 INSTRUMENT FOR CAPTURING FREE THROMBI Inoue, Kanji (JP) 2014-04-30 EP claimed
US-20140113091-A1 MEDICAL SUPPLY TORAY INDUSTRIES, INC. (JP) 2014-04-24 US claimed
EP-2518100-A1 HYDROPHILIC POLYMER COMPOUND HAVING ANTICOAGULATION EFFECT Toray Industries, Inc. (JP) 2012-10-31 EP claimed
US-20120271010-A1 HYDROPHILIC POLYMER COMPOUND HAVING ANTICOAGULATION EFFECT TORAY INDUSTRIES, INC. (JP) 2012-10-25 US claimed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
EP-0608831-B1 Compositions containing argatroban analogs MITSUBISHI CHEM CORP (JP) 2000-03-22 EP claimed
EP-0608828-B1 Compositions containing argatroban analogs MITSUBISHI CHEM CORP (JP) 2000-03-22 EP claimed
US-5565471-A Method for inhibiting thrombosis MITSUBISHI CHEMICAL CORPORATION (JP) 1996-10-15 US claimed
EP-0608828-A1 Compositions containing argatroban analogs Mitsubishi Chemical Corporation (JP) 1994-08-03 EP claimed
EP-0608831-A1 Compositions containing argatroban analogs Mitsubishi Chemical Corporation (JP) 1994-08-03 EP claimed
US-5141947-A N2-Arylsulfonyl-L-arginien amide derivatives MITSUBISHI KASEI CORPORATION (JP) 1992-08-25 US claimed
EP-0181267-B1 FIBRINOLYSIS-ENHANCING AGENTS MITSUBISHI KASEI CORPORATION (JP) 1991-05-08 EP claimed

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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 HDAC6 137/4885PDE10A 294/4885SCD 4306/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HDAC6 198/4885PDE10A 451/4885SCD 4574/4885

“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.