SCHEMBL17465577

SCHEMBL17465577

C[N+](=O)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 2/20 0.50
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GAA P10253 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM1A O60341 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ VCP P55072 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FFAR2 O15552 1/20 0.40

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
SCHEMBL1821951 0.87 ALDH1A1 (0.49) CCR4KMT2AMEN1GAARAB9A
SCHEMBL17465578 0.83 NPC1 (0.63) CCR4KMT2AMEN1GAARAB9A
SCHEMBL29274266 0.81 ALOX5 (0.59) CCR4KMT2AMEN1GAARAB9A
SCHEMBL29274278 0.80 ALOX5 (0.62) CCR4KMT2AMEN1GAARAB9A
SCHEMBL29274273 0.80 KDM1A (0.52) CCR4KMT2AMEN1GAARAB9A
SCHEMBL1821785 0.80 VCP (0.59) CCR4KMT2AMEN1GAASMN1; SMN2
SCHEMBL1821848 0.80 ALOX5 (0.60) CCR4KMT2AMEN1GAARAB9A
SCHEMBL2819863 0.79 GAA (0.53) CCR4KMT2AMEN1GAARAB9A
SCHEMBL15303807 0.79 SMN1; SMN2 (0.51) CCR4KMT2AMEN1GAARAB9A
SCHEMBL29274267 0.79 MEN1 (0.64) CCR4KMT2AMEN1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY 2016-01-28 — — 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-20160024035-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 CCR4 3877/4885KMT2A 3757/4885MEN1 4670/4885

“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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