SCHEMBL9944111

SCHEMBL9944111

Cc1cc(NC(=O)c2cc(Cl)c(C)c(OCC3CC3)c2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.47
PDE4B Q07343 7/20 0.46
PDE4D Q08499 6/20 0.43
PDE4A P27815 4/20 0.43
PDE4C Q08493 4/20 0.43
ABCB11 O95342 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9944109 0.91 KMT2A (0.47) NR1H4PDE4BPDE4DPDE4APDE4C
SCHEMBL9944108 0.90 NR1H4 (0.50) NR1H4PDE4BPDE4DPDE4APDE4C
SCHEMBL1458652 0.89 RAB9A (0.52) NR1H4PDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL9944110 0.83 PDE4A (0.47) NR1H4PDE4BPDE4DPDE4APDE4C
SCHEMBL9944102 0.82 NPC1 (0.48) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9944231 0.82 MAPT (0.53) NR1H4PDE4BPDE4DPDE4APDE4C
SCHEMBL9944088 0.81 NPC1 (0.53) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL9944116 0.81 RAB9A (0.44) NR1H4NPC1RAB9ASMN1; SMN2MITF
SCHEMBL9944083 0.79 NPC1 (0.50) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL1458143 0.79 KMT2A (0.52) NR1H4NPC1RAB9ASMN1; SMN2NFKB1

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 NR1H4 33/4885PDE4B 512/4885PDE4D 664/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG NR1H4 33/4885PDE4B 512/4885PDE4D 664/4885

“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.