SCHEMBL8238342

SCHEMBL8238342

Cc1ccc(Cl)c(-c2ccc(NC(=O)c3scnc3C)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL14641822 0.87 NAMPT (0.42) RAB9ANPC1PKMNAMPTKDM4E
SCHEMBL2812391 0.86 RAB9A (0.41) RAB9ANPC1PKMNAMPTSMN1; SMN2
SCHEMBL440417 0.86 NAMPT (0.43) RAB9ANPC1PKMNAMPTKDM4E
SCHEMBL14641952 0.83 POLB (0.51) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL13171494 0.83 ALDH1A1 (0.40) RAB9ANPC1PKMNAMPTKDM4E
SCHEMBL8238340 0.82 RAB9A (0.46) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL12241289 0.81 NAMPT (0.40) RAB9ANPC1PKMNAMPTKDM4E
SCHEMBL15853489 0.81 RAB9A (0.50) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL15681776 0.80 PTK2 (0.55) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL15853484 0.79 ALDH1A1 (0.57) RAB9ANPC1PKMKDM4ELMNA

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-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
WO-2007089904-A2 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-09 WO 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-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 RAB9A 2696/4885NPC1 947/4885PKM 1522/4885

“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.