SCHEMBL9944247

SCHEMBL9944247

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 5/20 0.55
MAPT P10636 8/20 0.53
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 3/20 0.50
TOP1 P11387 1/20 0.50
ABCB1 P08183 1/20 0.50
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 5/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MCL1 Q07820 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RORC P51449 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL1458140 0.89 POLB (0.52) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944244 0.87 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944248 0.86 RORC (0.51) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944253 0.86 MAPT (0.50) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944254 0.85 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944243 0.84 TOP1 (0.46) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944314 0.84 ABCB1 (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944242 0.83 KCNQ3 (0.45) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944240 0.82 MAPT (0.58) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL9944197 0.82 TAS1R3 (0.52) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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 271/4885SMN1; SMN2 696/4885NPC1 277/4885

“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.