SCHEMBL4969111

SCHEMBL4969111

Cc1cc(Cl)cc(NC[C@H](Br)C(C)C)c1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
SCN4A P35499 2/20 0.33

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
SCHEMBL4967541 1.00 ATM (0.34) ATMMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL4968980 0.86 ALDH1A1 (0.39) MEN1LMNAKMT2ASMN1; SMN2GABRA1
SCHEMBL4970133 0.86 ALDH1A1 (0.39) MEN1LMNAKMT2ASMN1; SMN2GABRA1
SCHEMBL4969102 0.84 GAA (0.35) LMNA
SCHEMBL4968434 0.84 GAA (0.35) LMNA
SCHEMBL4971229 0.84 GAA (0.35) LMNA
SCHEMBL4968013 0.83 GABRA1 (0.34) ATMMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL4970152 0.81 ALOX5 (0.33)
SCHEMBL4968603 0.79 MEN1 (0.32) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL4970612 0.79 MEN1 (0.32) MEN1LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 ATM 4501/4885MEN1 4288/4885LMNA 4136/4885

“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.