SCHEMBL4996201

SCHEMBL4996201

COCc1cccc(Cl)c1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR4A2 P43354 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5256415 0.86 LMNA (0.50) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL5256419 0.86 LMNA (0.50) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL19731335 0.85 LMNA (0.49) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL19879735 0.85 LMNA (0.49) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL484670 0.85 LMNA (0.49) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL4987306 0.84 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL26712747 0.83 LMNA (0.48) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL30296784 0.83 LMNA (0.48) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL517538 0.83 CA12 (0.61) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL4997420 0.82 LMNA (0.47) LMNASMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3747862-A1 ALDH2 ACTIVATOR Eisai R&D Management Co., Ltd. (JP) 2020-12-09 EP disclosed
US-10406126-B2 ALDH2 activator EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-09-10 US disclosed
US-20190231720-A1 ALDH2 ACTIVATOR EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-08-01 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 US disclosed
EP-1853600-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-11-14 EP disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (4 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-10406126-B2 ALDH2 activator ALDH2, ALDH1A1, ALDH3A1 LMNA 4116/4885SMN1; SMN2 1715/4885CA12 854/4885
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's CDK1, CDK3, CDK2 LMNA 1168/4885SMN1; SMN2 1486/4885CA12 3325/4885
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 LMNA 367/4885SMN1; SMN2 3655/4885CA12 4108/4885
US-20190231720-A1 ALDH2 ACTIVATOR ALDH2, ALDH1A1, ALDH3A1 LMNA 4116/4885SMN1; SMN2 1715/4885CA12 854/4885

“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.