SCHEMBL14224974

SCHEMBL14224974

Cc1nc(-c2cc(C(=O)N(C)CCC(=O)O)n(C)c2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ RAB9A P51151 9/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 7/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DVL1 O14640 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ TRIM24 O15164 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ CASP2 P42575 1/20 0.36
▸ GFER P55789 1/20 0.35

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
SCHEMBL16404071 0.89 RAB9A (0.40) ALDH1A1KDM4ERAB9APOLBGAA
SCHEMBL14224958 0.89 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9APOLBGAA
SCHEMBL14224988 0.86 RAB9A (0.41) ALDH1A1KDM4ERAB9APOLBGAA
SCHEMBL16403920 0.84 ALDH1A1 (0.38) ALDH1A1KDM4ERAB9APOLBGAA
SCHEMBL16404150 0.83 RAB9A (0.42) ALDH1A1KDM4ERAB9APOLBGAA
SCHEMBL16403981 0.83 RAB9A (0.43) ALDH1A1KDM4ERAB9APOLBGAA
SCHEMBL16404129 0.81 KDM4E (0.47) ALDH1A1KDM4ERAB9APOLBGAA
SCHEMBL14325805 0.80 RAB9A (0.39) ALDH1A1KDM4ERAB9APOLBGAA
SCHEMBL14684730 0.79 ATP4A (0.43) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL14325787 0.79 RAB9A (0.50) ALDH1A1KDM4ERAB9APOLBNPC1

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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