SCHEMBL9944337

SCHEMBL9944337

CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(OCC)c1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 1/20 0.58
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
TP53 P04637 2/20 0.53
ABCB1 P08183 1/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
HPSE Q9Y251 1/20 0.50
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
NR4A1 P22736 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL1457774 0.89 MEN1 (0.62) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL9944240 0.89 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL9944333 0.88 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL9944241 0.84 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL1459379 0.83 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL11316671 0.80 SMN1; SMN2 (0.61) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL8361562 0.78 NPC1 (0.78) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL2912453 0.78 RAB9A (0.80) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL15869880 0.77 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL11310915 0.77 NPC1 (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA

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 MAPT 150/4885SMN1; SMN2 696/4885MEN1 4809/4885

“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.