SCHEMBL14224994

SCHEMBL14224994

CCN(CCO)C(=O)c1cc(-c2csc(C)n2)cn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GFER P55789 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP2 P42575 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TRPV1 Q8NER1 5/20 0.35
▸ TRIM24 O15164 1/20 0.34

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
SCHEMBL16404107 0.88 RAB9A (0.38) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14325805 0.87 RAB9A (0.39) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14224958 0.86 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL16403912 0.84 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14224988 0.84 RAB9A (0.41) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL16403921 0.82 RAB9A (0.37) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL16403981 0.81 RAB9A (0.43) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14224974 0.78 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL16403920 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL16404071 0.77 RAB9A (0.40) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2

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 5 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
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 — — WO disclosed
WO-2012172438-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-20 — — WO 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 ALDH1A1 4672/4885KDM4E 2080/4885RAB9A 3104/4885

“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.

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