SCHEMBL774010

SCHEMBL774010

O=[N+]([O-])c1ccc2c(O)c3ccccc3cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.58
S100A4 P26447 2/20 0.58
TSHR P16473 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP3A4 P08684 2/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
ALOX15 P16050 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
CSNK2A1 P68400 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
TNF P01375 1/20 0.48

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
Methane SCHEMBL7941475 0.89 CASP6 (0.57) CASP6S100A4TSHRTDP1CYP3A4
SCHEMBL5533530 0.87 S100A4 (0.46) CASP6S100A4TSHRTDP1CYP3A4
SCHEMBL1527627 0.82 TSHR (0.62) CASP6S100A4TSHRTDP1CYP3A4
SCHEMBL5575186 0.81 HPRT1 (0.64) CASP6S100A4TSHRTDP1CYP3A4
SCHEMBL774702 0.79 TSHR (0.52) CASP6S100A4TSHRTDP1MAPT
SCHEMBL4960980 0.77 TDP1 (0.66) CASP6S100A4TSHRTDP1CYP3A4
SCHEMBL11800731 0.77 MEN1 (0.50) CASP6S100A4TSHRTDP1CYP3A4
SCHEMBL5167846 0.76 LMNA (0.54) S100A4TSHRTDP1CYP3A4MEN1
SCHEMBL31677837 0.76 LMNA (0.54) S100A4TSHRTDP1CYP3A4MEN1
SCHEMBL2760792 0.76 LMNA (0.54) S100A4TSHRTDP1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211414-B2 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity VISIGEN BIOTECHNOLOGIES, INC. (US) 2007-05-01 US claimed
EP-3415641-B1 METHOD FOR ANALYSIS OF MOLECULES PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2023-11-01 EP disclosed
EP-3415641-A1 METHOD FOR ANALYSIS OF MOLECULES Pacific Biosciences Of California, Inc. (US) 2018-12-19 EP disclosed
US-20180100191-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS VISIGEN BIOTECHNOLOGIES, INC. 2018-04-12 US disclosed
US-9845500-B2 Enzymatic nucleic acid synthesis: compositions and methods for inhibiting pyrophosphorolysis Life Technologies Corporation (US) 2017-12-19 US disclosed
US-20170343479-A1 APPARATUS AND METHOD FOR PERFORMING NUCLEIC ACID ANALYSIS PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2017-11-30 US disclosed
US-9709503-B2 Apparatus and method for performing nucleic acid analysis PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-18 US disclosed
US-9588051-B2 Apparatus and method for performing nucleic acid analysis PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-03-07 US disclosed
US-20170002409-A1 APPARATUS AND METHOD FOR PERFORMING NUCLEIC ACID ANALYSIS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-01-05 US disclosed
US-20160244822-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS Life Technologies Corporation 2016-08-25 US disclosed
US-7211414-B2 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity VISIGEN BIOTECHNOLOGIES, INC. (US) 2007-05-01 US disclosed
US-20060183145-A1 Use of reversible extension terminator in nucleic acid sequencing PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2006-08-17 US disclosed
US-20060061754-A1 Arrays of optical confinements and uses thereof PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2006-03-23 US disclosed
US-20060061755-A1 Apparatus and method for analysis of molecules PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2006-03-23 US disclosed
US-20060063264-A1 Apparatus and method for performing nucleic acid analysis PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2006-03-23 US disclosed
US-20060062531-A1 Fabrication of optical confinements PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2006-03-23 US disclosed
EP-1354064-A2 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR ALTERING MONOMER INCORPORATION FIDELITY Visigen Biotechnologies, Inc. (US) 2003-10-22 EP disclosed
US-20030134807-A1 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity Life Technologies Corporation 2003-07-17 US disclosed
WO-2002044425-A2 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR ALTERING MONOMER INCORPORATION FIDELITY VISIGEN BIOTECHNOLOGIES, INC. (US) 2002-06-06 WO disclosed
US-6399335-B1 MIXING POLYMERASE AND NUCLEOSIDE TRIPHOSPHATE HAVING A GAMMA PHOSPHATE PHOSPHOESTER-LINKED FUNCTIONAL GROUP, INCUBATING SO THAT POLYMERASE CATALYZES CLEAVAGE BETWEEN ALPHA AND BETA PHOSPHATES AND LIBERATES PYROPHOSPHATE WITH FUNCTIONAL GROUP ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-06-04 US 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 (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-20180100191-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS RNGTT, PPA1, PNP CASP6 3393/4885S100A4 3154/4885TSHR 3956/4885
US-20030134807-A1 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity RNGTT, PNP, MTAP CASP6 3800/4885S100A4 3172/4885TSHR 4361/4885

“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.