SCHEMBL4968013

SCHEMBL4968013

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
SCN4A P35499 2/20 0.33
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
VDR P11473 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
SCHEMBL4968551 0.86 ALDH1A1 (0.41) GABRA1GABRB1MEN1LMNAKMT2A
SCHEMBL4967541 0.83 ATM (0.34) GABRA1GABRB1SCN4AATMMEN1
SCHEMBL4969111 0.83 ATM (0.34) GABRA1GABRB1SCN4AATMMEN1
SCHEMBL4969593 0.79 NPC1 (0.32) MEN1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL14113095 0.76 TSHR (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL24446031 0.72 RAPGEF4 (0.39) GABRA1GABRB1MEN1KMT2A
SCHEMBL4967999 0.71 TRPM4 (0.40) MEN1LMNAKMT2A
SCHEMBL4968008 0.71 TRPM4 (0.40) MEN1LMNAKMT2A
SCHEMBL4971229 0.70 GAA (0.35) LMNAHTTVDR
SCHEMBL4969102 0.70 GAA (0.35) LMNAHTTVDR

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 GABRA1 3227/4885GABRB1 3389/4885SCN4A 4080/4885

“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.