SCHEMBL314481

SCHEMBL314481

Fc1ccc(Oc2[c]cccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SCN4A P35499 1/20 0.37
KDR P35968 1/20 0.36
TRPA1 O75762 2/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
APAF1 O14727 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SCN9A Q15858 2/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL316115 0.83 LTA4H (0.42) KMT2AHTTLMNAKDM4EMAPT
SCHEMBL9900619 0.82 MEN1 (0.56) KMT2AMEN1L3MBTL1MAPTRAB9A
SCHEMBL1031471 0.82 KMT2A (0.44) KMT2AMEN1L3MBTL1HTTKDM4E
SCHEMBL8128538 0.82 MAPT (0.38) KMT2AMEN1HTTLMNAKDM4E
SCHEMBL217907 0.82 RAB9A (0.42) KMT2AMEN1L3MBTL1HTTKDM4E
SCHEMBL8129794 0.82 CLK4 (0.47) KMT2AMEN1L3MBTL1HTTLMNA
SCHEMBL4342200 0.81 MAP4K4 (0.38) KMT2AKDM4EMAPTALDH1A1
SCHEMBL8122786 0.74 LMNA (0.50) HTTLMNAALDH1A1
SCHEMBL6943230 0.72 MEN1 (0.63) KMT2AMEN1L3MBTL1HTTLMNA
SCHEMBL3792048 0.71 P2RY1 (0.46) KMT2AMEN1L3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628661-A2 MODULATORS OF VR1 RECEPTOR Vertex Pharmaceuticals Incorporated (US) 2006-03-01 EP claimed
US-20050004133-A1 Modulators of VR1 receptor VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 US claimed
WO-2004108133-A2 MODULATORS OF VR1 RECEPTOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-16 WO claimed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
CN-101142194-B Benzazole derivatives, compositions, and methods of use as b-secretase inhibitors TRANSTECH PHARMA INC 2012-10-10 CN disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
EP-1628661-A2 MODULATORS OF VR1 RECEPTOR Vertex Pharmaceuticals Incorporated (US) 2006-03-01 EP disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
US-20050004133-A1 Modulators of VR1 receptor VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 US disclosed
WO-2004108133-A2 MODULATORS OF VR1 RECEPTOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-16 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 (7 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KMT2A 4094/4885MEN1 2918/4885L3MBTL1 3600/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP KMT2A 4117/4885MEN1 3092/4885L3MBTL1 2675/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 KMT2A 3968/4885MEN1 2639/4885L3MBTL1 3922/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KMT2A 4094/4885MEN1 2918/4885L3MBTL1 3600/4885
US-20050004133-A1 Modulators of VR1 receptor TRPV1, TRPV2, TRPV3 KMT2A 4151/4885MEN1 3939/4885L3MBTL1 4418/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KMT2A 1134/4885MEN1 1081/4885L3MBTL1 4863/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KMT2A 4094/4885MEN1 2918/4885L3MBTL1 3600/4885

“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.