SCHEMBL1200865

SCHEMBL1200865

Cc1c(N)cccc1C(=O)ON

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
HSD17B10 Q99714 10/20 0.49
CFTR P13569 1/20 0.48
TSHR P16473 5/20 0.48
CYP3A4 P08684 2/20 0.48
PIK3CA P42336 1/20 0.48
MMP2 P08253 1/20 0.41
KDM4E B2RXH2 7/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CDC25B P30305 2/20 0.39
POLB P06746 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 2/20 0.37

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
SCHEMBL31303445 0.85 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRTSHRCYP3A4
SCHEMBL543352 0.85 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRTSHRCYP3A4
Hydrochloric Acid SCHEMBL6980967 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRTSHRCYP3A4
SCHEMBL28165708 0.83 HSD17B10 (0.47) ALDH1A1HSD17B10CFTRTSHRCYP3A4
SCHEMBL27580293 0.82 ATM (0.48) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL717606 0.81 ALDH1A1 (0.74) ALDH1A1HSD17B10CFTRTSHRCYP3A4
SCHEMBL27498904 0.81 TSHR (0.47) ALDH1A1HSD17B10TSHRCYP3A4MMP2
SCHEMBL9259479 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL27919811 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL25142572 0.80 HSD17B10 (0.45) ALDH1A1HSD17B10CFTRTSHRCYP3A4

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
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
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-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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO disclosed
EP-1196398-A4 BRIDGED FLUORESCENT DYES, THEIR PREPARATION AND THEIR USE IN ASSAYS SURROMED INC (US) 2002-11-06 EP disclosed
US-6403807-B1 CYANINE DYES HAVING SEPARATE SECOND LINKING CHAIN JOINING TWO HETEROCYCLES TO RESTRAIN COMPOUND INTO DESIRED CONFORMATION WHICH ABSORBS ELECTROMAGNETIC ENERGY AND EMITS FLUORESCENCE AT SPECIFIED WAVELENGTHS SURROMED, INC. 2002-06-11 US disclosed
EP-1196398-A1 BRIDGED FLUORESCENT DYES, THEIR PREPARATION AND THEIR USE IN ASSAYS Surromed, Inc. (US) 2002-04-17 EP disclosed
WO-2001002374-A1 BRIDGED FLUORESCENT DYES, THEIR PREPARATION AND THEIR USE IN ASSAYS SURROMED, INC. (US) 2001-01-11 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 (4 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 ALDH1A1 1717/4885HSD17B10 955/4885CFTR 2248/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 2426/4885HSD17B10 1119/4885CFTR 2779/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885HSD17B10 955/4885CFTR 2248/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885HSD17B10 955/4885CFTR 2248/4885

“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.