SCHEMBL9944169

SCHEMBL9944169

CCOc1c(C)cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
RAB9A P51151 6/20 0.57
NPC1 O15118 6/20 0.57
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
TP53 P04637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9944191 0.95 MEN1 (0.62) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9944139 0.92 RAB9A (0.61) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9944194 0.91 KMT2A (0.56) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9944204 0.90 RAB9A (0.54) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9944220 0.89 MAPT (0.53) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9944218 0.87 MAPT (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL1458061 0.87 RAB9A (0.67) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9944174 0.87 TAS1R3 (0.59) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL1457761 0.86 MEN1 (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9944208 0.86 MAPT (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1

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 MEN1 4809/4885KMT2A 1418/4885RAB9A 271/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MEN1 4809/4885KMT2A 1418/4885RAB9A 271/4885

“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.