SCHEMBL4969593

SCHEMBL4969593

Cc1cc(Cl)c(O)c(NC[C@@H](Cl)C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 2/20 0.30
GPR35 Q9HC97 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 0.87 ALDH1A1 (0.41) ALOX15ALOX12LMNASMN1; SMN2HTT
SCHEMBL4968603 0.84 MEN1 (0.32) NPC1RAB9AALOX15ALOX12LMNA
SCHEMBL4970612 0.84 MEN1 (0.32) NPC1RAB9AALOX15ALOX12LMNA
SCHEMBL4968013 0.79 GABRA1 (0.34) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4969590 0.72 GPR35 (0.38) RAB9AALOX12LMNAL3MBTL1HTT
SCHEMBL4969584 0.72 GPR35 (0.38) RAB9AALOX12LMNAL3MBTL1HTT
SCHEMBL4968980 0.70 ALDH1A1 (0.39) ALOX15ALOX12LMNASMN1; SMN2HTT
SCHEMBL4970133 0.70 ALDH1A1 (0.39) ALOX15ALOX12LMNASMN1; SMN2HTT
SCHEMBL4968591 0.68 HTT (0.39) NPC1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL4970600 0.68 HTT (0.39) NPC1RAB9ALMNASMN1; SMN2L3MBTL1

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 NPC1 818/4885RAB9A 3322/4885ALOX15 443/4885

“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.