SCHEMBL13729211

SCHEMBL13729211

Cn1nc(Cl)cc(C=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ERN1 O75460 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
CYP2C9 P11712 1/20 0.31
GFER P55789 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL13730110 0.82 ALDH1A1 (0.35) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL13730108 0.82 ALDH1A1 (0.35) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL709488 0.75 LMNA (0.48) ALDH1A1LMNAHTTATMSMN1; SMN2
SCHEMBL958691 0.74 BRD4 (0.36) ALDH1A1LMNAHTTATMSMN1; SMN2
SCHEMBL2520789 0.74
SCHEMBL103897 0.72 AURKA (0.36) ALDH1A1LMNAHTTATMTDP1
SCHEMBL612227 0.71 LMNA (0.33) ALDH1A1LMNAHTTATMKAT2B
SCHEMBL31612727 0.68 COMT (0.37) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL31612733 0.68 THRA (0.34) ALDH1A1LMNAHTTATMKAT2B
SCHEMBL31612726 0.68 COMT (0.37) ALDH1A1LMNAHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119372-A2 MRGPRX2 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-06-12 WO disclosed
CN-120118069-A MRGPRX2 antagonists and uses 武汉人福创新药物研发中心有限公司 2025-06-10 CN disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
EP-2704712-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS AbbVie Inc. (US) 2014-03-12 EP disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 WO disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 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 (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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 ALDH1A1 176/4885LMNA 1281/4885HTT 3245/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 ALDH1A1 176/4885LMNA 1281/4885HTT 3245/4885

“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.