SCHEMBL9944087

SCHEMBL9944087

Cc1cc(NC(=O)c2cc(Br)c(C)c(Br)c2)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 1/20 0.50
NR1H4 Q96RI1 3/20 0.49
FKBP5 Q13451 1/20 0.49
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SORT1 Q99523 1/20 0.45
MEN1 O00255 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
SCHEMBL9944099 0.94 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL9944119 0.87 KMT2A (0.52) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL1458488 0.84 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL1458178 0.83 MAPT (0.56) RAB9ANPC1SMN1; SMN2KMT2ANR1H4
SCHEMBL9944088 0.83 NPC1 (0.53) RAB9ANPC1KMT2ACYP1A2NR1H4
SCHEMBL9944100 0.83 RARA (0.52) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL9944150 0.81 MAPT (0.54) RAB9ANPC1SMN1; SMN2KMT2ANR1H4
SCHEMBL9944085 0.81 NPC1 (0.57) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL9944083 0.81 NPC1 (0.50) RAB9ANPC1KMT2ACYP1A2NR1H4
SCHEMBL9944091 0.80 NR1H4 (0.49) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
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 (2 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
US-20160039747-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.