SCHEMBL1322145

SCHEMBL1322145

Cc1cc(N)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CISD2 Q8N5K1 2/20 0.48
RAD52 P43351 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CYP17A1 P05093 1/20 0.39

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
SCHEMBL14691487 0.88 LMNA (0.43) MAPTCYP1A2CYP2C9CYP2C19CISD2
SCHEMBL15160030 0.86 GAA (0.52) MAPTCYP17A1AAK1
SCHEMBL8297312 0.85 SMN1; SMN2 (0.63) MAPTCISD2SMN1; SMN2MEN1KMT2A
SCHEMBL19935638 0.84 KCNQ4 (0.40) MAPTCYP1A2CYP2C9CYP2C19CISD2
SCHEMBL22535137 0.84 MEN1 (0.51) MAPTSMN1; SMN2MEN1KMT2ACA12
SCHEMBL11654725 0.83 MAPT (0.59) MAPTCYP1A2CYP2C9CYP2C19CISD2
SCHEMBL22113056 0.83 KCNQ4 (0.40) MAPTCYP1A2CYP2C9CYP2C19CISD2
SCHEMBL13283864 0.83 MAPT (0.40) MAPTCYP1A2CYP2C9CYP2C19CISD2
SCHEMBL2833050 0.83 CYP17A1 (0.52) MAPTCA1CA9POLBHTT
SCHEMBL2770751 0.83 SMN1; SMN2 (0.47) MAPTCISD2SMN1; SMN2MEN1KMT2A

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-2314593-B1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2016-05-04 EP disclosed
EP-2314593-B1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2016-05-04 EP disclosed
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-8258293-B2 Tetrahydroquinoline derivatives MSD OSS B.V. (NL) 2012-09-04 US disclosed
US-20120202996-A1 TETRAHYDROQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2012-08-09 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
WO-2003011872-A1 PLATELET ADP RECEPTOR INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-02-13 WO disclosed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP disclosed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 US disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
US-20020077486-A1 For therapy and prophylaxis of thrombosis in a mammal ALEXION PHARMACEUTICALS, INC. 2002-06-20 US disclosed
EP-1183227-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-06 EP disclosed
WO-2001072686-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-10-04 WO disclosed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP disclosed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 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 (6 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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 MAPT 3205/4885CYP1A2 66/4885CYP2C9 149/4885
US-20120202996-A1 TETRAHYDROQUINOLINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ODC1, COX6C MAPT 4540/4885CYP1A2 729/4885CYP2C9 386/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 MAPT 4832/4885CYP1A2 2326/4885CYP2C9 314/4885
US-20020077486-A1 For therapy and prophylaxis of thrombosis in a mammal PIGS, TBXA2R, GP6 MAPT 4878/4885CYP1A2 2146/4885CYP2C9 184/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM MAPT 725/4885CYP1A2 3909/4885CYP2C9 3466/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 MAPT 4683/4885CYP1A2 2594/4885CYP2C9 890/4885

“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.