SCHEMBL3753379

SCHEMBL3753379

O=C(O)c1c(F)cc(Cl)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR2 O95136 1/20 0.35
POLB P06746 2/20 0.35
DHODH Q02127 1/20 0.34
KMO O15229 3/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR35 Q9HC97 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32

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
SCHEMBL29794402 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL4786329 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL18398773 0.84 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL28783740 0.82 POLB (0.50) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL29794411 0.82 POLB (0.50) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL29184110 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL29982859 0.79 ALDH1A1 (0.57) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL894222 0.79 ALDH1A1 (0.57) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL29384281 0.79 ALDH1A1 (0.74) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL473877 0.79 ALDH1A1 (0.74) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2

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
CN-114716435-A KRAS G12C mutation inhibitor 广州百霆医药科技有限公司 2022-07-08 CN disclosed
US-7842671-B1 Peptidomimetic inhibitors of STAT activity and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2010-11-30 US disclosed
US-7342095-B2 Peptidomimetic inhibitors of STAT activity and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2008-03-11 US disclosed
EP-1597270-A2 PEPTIDOMIMETIC INHIBITORS OF STAT3 ACTIVITY AND THEIR MEDICAL USES University of South Florida (US) 2005-11-23 EP disclosed
US-20050004009-A1 Peptidomimetic inhibitors of STAT activity and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-01-06 US disclosed
WO-2004073650-A2 PEPTIDOMIMETIC INHIBITORS OF STAT3 ACTIVITY AND THEIR MEDICAL USES UNIVERSITY OF SOUTH FLORIDA (US) 2004-09-02 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-20050004009-A1 Peptidomimetic inhibitors of STAT activity and uses thereof STAT3, JAK1, JAK2 ALDH1A1 4709/4885MAPK1 129/4885SMN1; SMN2 4407/4885

“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.