SCHEMBL9944116

SCHEMBL9944116

CCC(CC)Oc1cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)cc(Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MITF O75030 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 3/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1458204 0.90 TAS1R3 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9944117 0.90 RARA (0.44) RAB9ANPC1SMN1; SMN2MITFNFKB1
SCHEMBL9944121 0.89 TDP1 (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9944112 0.89 MEN1 (0.49) RAB9ANPC1SMN1; SMN2MITFNFKB1
SCHEMBL9944102 0.89 NPC1 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1459303 0.87 MEN1 (0.48) RAB9ANPC1SMN1; SMN2MITFNFKB1
SCHEMBL9944088 0.84 NPC1 (0.53) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL9944237 0.82 TAS1R3 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9944083 0.81 NPC1 (0.50) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL1458469 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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.