SCHEMBL8544461

SCHEMBL8544461

O=C1c2ccccc2C(=O)N1OCCF

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
ALDH1A1 P00352 5/20 0.59
CYP1A2 P05177 2/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
CYP2C9 P11712 1/20 0.50
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30779744 1.00 GAA (0.69) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL22326350 0.87 GAA (0.88) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL2566077 0.84 GAA (0.69) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL2452322 0.84 GAA (0.69) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL6570943 0.83 GAA (0.74) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL7475276 0.83 GAA (0.62) GAAALDH1A1CYP1A2RECQLKMT2A
Hydrochloric Acid SCHEMBL29556018 0.82 GAA (0.67) GAAALDH1A1CYP1A2RECQLKMT2A
Hydrochloric Acid SCHEMBL5418885 0.82 GAA (0.67) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL24507059 0.82 GAA (0.71) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL12028883 0.82 GAA (1.00) GAAALDH1A1CYP1A2RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023236945-A1 PYRIDAZIN-3-CARBOXAMIDE COMPOUND AS TYK2 INHIBITOR 广州费米子科技有限责任公司 2023-12-14 WO disclosed
CN-117186074-A Pyridazine-3-carboxamide compounds as TYK2 inhibitors 广州费米子科技有限责任公司 2023-12-08 CN disclosed
US-8278425-B2 N-substituted-aminomethylene bridged bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20100249211-A1 N-Substituted-Aminomethylene Bridged Bicyclic Nucleic Acid Analogs IONIS PHARMACEUTICALS, INC. 2010-09-30 US disclosed
EP-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed
WO-1997041128-A1 3-PYRAZOLIOMETHYLCEPHEM COMPOUNDS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-06 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-20100249211-A1 N-Substituted-Aminomethylene Bridged Bicyclic Nucleic Acid Analogs NSUN2, RNMT, NSUN3 GAA 2598/4885ALDH1A1 4378/4885CYP1A2 4709/4885

“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.