SCHEMBL9944175

SCHEMBL9944175

CC(=O)c1ccc(NC(=O)c2cc(C)c(OC3CCCC3)c(Br)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.43
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
EPHX1 P07099 1/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9944196 0.84 TAS1R3 (0.48) RAB9ANPC1SMN1; SMN2PDE4APDE4B
SCHEMBL9944161 0.83 TAS1R3 (0.52) RAB9ANPC1SMN1; SMN2PDE4APDE4B
SCHEMBL9944187 0.81 TAS1R3 (0.52) RAB9ANPC1SMN1; SMN2PDE4APDE4B
SCHEMBL9944182 0.81 PDE4A (0.54) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL9944181 0.80 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9944176 0.80 PDE4D (0.53) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL9944162 0.79 PDE4A (0.57) RAB9ASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL9944227 0.79 PDE4A (0.51) RAB9ANPC1SMN1; SMN2PDE4APDE4B
SCHEMBL9944086 0.77 PDE4A (0.49) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL9944192 0.77 PDE5A (0.46) RAB9ANPC1PDE4APDE4BPDE4C

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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RAB9A 271/4885NPC1 277/4885SMN1; SMN2 696/4885

“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.