SCHEMBL13802457

SCHEMBL13802457

O=C(O)c1cccc(NCc2cccc(Cl)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.63
FFAR1 O14842 2/20 0.62
PPARA Q07869 6/20 0.62
HIF1A Q16665 1/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KDM4E B2RXH2 1/20 0.58
NR4A2 P43354 1/20 0.55
AKR1C3 P42330 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL14758954 0.89 FFAR1 (0.70) MRGPRX4FFAR1PPARAHIF1ANPC1
SCHEMBL12581587 0.89 MRGPRX4 (0.73) MRGPRX4FFAR1PPARAHIF1ANPC1
SCHEMBL11248670 0.87 HIF1A (0.58) MRGPRX4HIF1AHDAC8HDAC6
SCHEMBL2188996 0.87 PPARA (0.79) MRGPRX4FFAR1PPARANPC1RAB9A
SCHEMBL2185809 0.86 FFAR1 (0.70) MRGPRX4FFAR1PPARAHIF1ANPC1
SCHEMBL10055040 0.84 FFAR1 (0.68) MRGPRX4FFAR1PPARAHIF1AAKR1C3
SCHEMBL6840198 0.84 PPARA (0.60) MRGPRX4FFAR1PPARANPC1RAB9A
SCHEMBL27488835 0.84 FFAR1 (0.67) MRGPRX4FFAR1PPARAHIF1ANPC1
SCHEMBL1287947 0.83 HIF1A (0.83) MRGPRX4FFAR1HIF1ANPC1RAB9A
SCHEMBL6700054 0.82 CHRM2 (0.55) KDM4EHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 MRGPRX4 2781/4885FFAR1 3064/4885PPARA 744/4885

“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.