SCHEMBL9944168

SCHEMBL9944168

CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OCc3ccncc3)c(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
GAA P10253 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
PLAU P00749 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
NAMPT P43490 2/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
NT5E P21589 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
SCHEMBL1458479 0.90 SCD (0.56) SCDKMT2AMEN1GAATAS1R3
SCHEMBL9944178 0.88 PLAU (0.58) KMT2AMEN1GAATAS1R3TAS1R1
SCHEMBL9944184 0.82 KMT2A (0.59) SCDKMT2AMEN1GAAPLAU
SCHEMBL9944170 0.82 KMT2A (0.64) KMT2AMEN1GAATAS1R3TAS1R1
SCHEMBL9944185 0.80 PLAU (0.58) KMT2AMEN1GAATAS1R3TAS1R1
SCHEMBL1457752 0.79 PLAU (0.60) KMT2AMEN1GAAPLAUALDH1A1
SCHEMBL1458102 0.78 PLAU (0.57) KMT2AMEN1GAATAS1R3TAS1R1
SCHEMBL9944167 0.77 TAS1R3 (0.50) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL9944177 0.75 TAS1R3 (0.57) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL9944194 0.75 KMT2A (0.56) KMT2AMEN1GAATAS1R3TAS1R1

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 SCD 2827/4885KMT2A 1418/4885MEN1 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.