SCHEMBL14224977

SCHEMBL14224977

CCC(NC(=O)c1cc(-c2csc(C)n2)cn1C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
NPC1 O15118 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SLC12A2 P55011 1/20 0.38
SLC12A5 Q9H2X9 1/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL16404075 0.88 RAB9A (0.42) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL14684766 0.85 RAB9A (0.40) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16403919 0.85 JAK2 (0.41) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16403932 0.84 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16403985 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16403939 0.83 RAB9A (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16404153 0.83 RAB9A (0.40) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16404147 0.83 RAB9A (0.42) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16403913 0.82 KDM4E (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16403926 0.80 RAB9A (0.38) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-20120316148-A1 Compositions and Methods for Modulating a Kinase DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-13 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-20120316148-A1 Compositions and Methods for Modulating a Kinase PRKCH, MAP3K2, MAP3K6 RAB9A 3104/4885NPC1 3445/4885SMN1; SMN2 3668/4885

“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.