SCHEMBL18422575

SCHEMBL18422575

CC(Cc1ccccc1Cl)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CTBP2 P56545 1/20 0.45
CNR1 P21554 1/20 0.44
ANPEP P15144 1/20 0.44
ESR1 P03372 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27904455 0.87 ACACB (0.49) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19566180 0.87 ACACB (0.49) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4333892 0.80 NPC1 (0.49) LMNANPC1RAB9AALDH1A1ESR1
SCHEMBL4897519 0.79 NPC1 (0.45) SMN1; SMN2NPC1RAB9APPARGPPARA
SCHEMBL14208222 0.77 PPARG (0.53) LMNASMN1; SMN2NPC1RAB9APPARG
SCHEMBL1454266 0.77 PPARG (0.53) LMNASMN1; SMN2NPC1RAB9APPARG
SCHEMBL25438243 0.77 CNR1 (0.43) LMNASMN1; SMN2NPC1RAB9APPARG
SCHEMBL2543698 0.77 NPC1 (0.79) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24609344 0.77 NPC1 (0.79) LMNASMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL23524428 0.75 TAAR1 (0.52) LMNASMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 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-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 LMNA 2032/4885SMN1; SMN2 4577/4885NPC1 959/4885

“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.