SCHEMBL4968419

SCHEMBL4968419

CC(C)C(Br)C(=O)Nc1cc(C(F)(F)F)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
CHRNA7 P36544 1/20 0.52
AKT1 P31749 1/20 0.48
TMPRSS4 Q9NRS4 2/20 0.44
NTRK1 P04629 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
SNCA P37840 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL17026913 0.89 KMT2A (0.50) KMT2AMEN1CHRNA7AKT1TMPRSS4
SCHEMBL4968558 0.87 MEN1 (0.48) KMT2AMEN1CHRNA7ALDH1A1HTT
SCHEMBL10359093 0.81 KCNMA1 (0.44) KMT2AMEN1SMN1; SMN2HTTCYP1A2
SCHEMBL1462428 0.80 MEN1 (1.00) KMT2AMEN1CHRNA7AKT1TMPRSS4
SCHEMBL29389109 0.80 MEN1 (1.00) KMT2AMEN1CHRNA7AKT1TMPRSS4
SCHEMBL4971171 0.80 GAA (0.57) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL4969176 0.80 KMT2A (0.39) KMT2AMEN1AKT1TMPRSS4ALDH1A1
SCHEMBL4968141 0.78 KCNMA1 (0.53) KMT2AMEN1CHRNA7SMN1; SMN2LMNA
SCHEMBL4228884 0.77 MEN1 (0.75) KMT2AMEN1CHRNA7AKT1TMPRSS4
SCHEMBL10359687 0.76 HTT (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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 KMT2A 1121/4885MEN1 4288/4885CHRNA7 4315/4885

“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.