SCHEMBL2979302

SCHEMBL2979302

Cc1cccc2c1N=C[N]2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
TRPA1 O75762 2/20 0.30
CD44 P16070 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4752477 0.73 TRPA1 (0.36) TRPA1
SCHEMBL2977865 0.73 CYP3A4 (0.35) ALDH1A1TSHRCD44
SCHEMBL4750466 0.73 CYP1A2 (0.35) CYP2A6CYP1A2ALDH1A1TSHRACHE
SCHEMBL1491322 0.73 ALDH1A1 (0.36) CYP1A2ALDH1A1CA1CA2CA7
SCHEMBL2863 0.64
SCHEMBL5603711 0.64 CYP2A6 (0.40) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL2264409 0.64 CYP2A6 (0.35) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL20419905 0.64 CYP1A2 (0.35) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL5712063 0.62 TRPA1 (0.30) TRPA1
SCHEMBL6365886 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677810-A Double-stranded oligonucleotide, composition containing double-stranded oligonucleotide, conjugate, preparation method and application 苏州瑞博生物技术股份有限公司 2023-02-03 CN claimed
US-9725474-B2 Modified nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-08 US claimed
EP-1828215-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2007-09-05 EP claimed
WO-2006093526-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-09-08 WO claimed
CN-115677810-A Double-stranded oligonucleotide, composition containing double-stranded oligonucleotide, conjugate, preparation method and application 苏州瑞博生物技术股份有限公司 2023-02-03 CN disclosed
EP-2915815-B1 NEW MODIFIED NUCLEIC ACID TAKEDA PHARMACEUTICALS CO (JP) 2018-01-17 EP disclosed
US-9725474-B2 Modified nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-08 US disclosed
US-20160016983-A1 New Modified Nucleic Acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-21 US disclosed
EP-2915815-A1 NEW MODIFIED NUCLEIC ACID Takeda Pharmaceutical Company Limited (JP) 2015-09-09 EP disclosed
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US disclosed
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-7579451-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
EP-1828215-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
WO-2006093526-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
US-4434174-A Treating cardiovascular diseases with N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1984-02-28 US disclosed
US-4363808-A N-(3-Phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1982-12-14 US disclosed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 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 (3 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-20160016983-A1 New Modified Nucleic Acid RNGTT, RNASEH1, RNASE1 CYP2A6 2623/4885CYP1A2 4596/4885ALDH1A1 966/4885
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE NT5C3B, DERA, DUT CYP2A6 3328/4885CYP1A2 4739/4885ALDH1A1 1623/4885
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT CYP2A6 3328/4885CYP1A2 4739/4885ALDH1A1 1623/4885

“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.