SCHEMBL12644401

SCHEMBL12644401

Cc1cc(-c2cncnc2)cc(C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ ERN1 O75460 4/20 0.45
▸ FYN P06241 4/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ATM Q13315 1/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ ESR1 P03372 1/20 0.35

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
SCHEMBL18909504 0.86 ERN1 (0.58) CA1CA2ERN1FYNCYP1A2
SCHEMBL15600599 0.82 ERN1 (0.67) CA1CA2ERN1
SCHEMBL22804025 0.80 CA1 (1.00) CA1CA2FYNCYP1A2CYP2C9
SCHEMBL220910 0.80 CA1 (1.00) CA1CA2FYNCYP1A2CYP2C9
SCHEMBL15263115 0.77 ATM (0.39) CA1CA2ERN1ATMALDH1A1
Methane SCHEMBL28825813 0.77 CA1 (0.93) CA1CA2FYNCYP1A2CYP2C9
SCHEMBL673373 0.77 CA1 (0.93) CA1CA2FYNCYP1A2CYP2C9
SCHEMBL17751246 0.77 ERN1 (0.56) ERN1CYP2C19CYP17A1ESR1ESR2
SCHEMBL19594479 0.75 CYP2A6 (0.58) CA1CA2ERN1FYNCYP1A2
SCHEMBL13552004 0.75 CA1 (0.39) CA1CA2ERN1FYNCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2890677-B1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2017-11-15 — — EP disclosed
US-9447083-B2 N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-09-20 — — US disclosed
US-9447083-B2 N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-09-20 — — US disclosed
US-9447083-B2 N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-09-20 — — US disclosed
US-20150252030-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-10 — — US disclosed
US-20150252030-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-10 — — US disclosed
US-20150252030-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-10 — — US disclosed
EP-2890677-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG Chong Kun Dang Pharmaceutical Corp. (KR) 2015-07-08 — — EP disclosed
WO-2014035149-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-03-06 — — WO disclosed
WO-2011075210-A2 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 — — 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 (1 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-20150252030-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG MALT1, MCL1, ACIN1 CA1 337/4885CA2 492/4885ERN1 3757/4885

“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.

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