SCHEMBL24648720

SCHEMBL24648720

Cc1cc(Cl)cc2sc(NC(=O)C3CC3)nc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ CASP3 P42574 1/20 0.61
▸ SENP8 Q96LD8 1/20 0.61
▸ SENP7 Q9BQF6 1/20 0.61
▸ SENP6 Q9GZR1 1/20 0.61
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ AHR P35869 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ LCK P06239 1/20 0.49

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
SCHEMBL30597536 0.81 NPC1 (0.64) NPC1RAB9AMEN1KMT2AAHR
SCHEMBL10936393 0.79 NPC1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10016392 0.76 NPC1 (1.00) NPC1RAB9AMEN1KMT2AAHR
SCHEMBL30597532 0.76 MAPT (0.70) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL16126079 0.75 NPC1 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22430581 0.74 KMT2A (0.53) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL30597514 0.73 MAPT (0.64) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL24648638 0.73 RAB9A (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL30597527 0.73 NPC1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10719011 0.71 NPC1 (0.60) NPC1RAB9ACASP3SENP8SENP7

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-20220267312-A1 AMINO BENZOTHIAZOLE COMPOUNDS FOR TREATMENT OF ANTIBIOTIC RESISTANT BACTERIA SAINT LOUIS UNIVERSITY (US) 2022-08-25 — — 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-20220267312-A1 AMINO BENZOTHIAZOLE COMPOUNDS FOR TREATMENT OF ANTIBIOTIC RESISTANT BACTERIA BCAT2, BCAT1, ABAT NPC1 2620/4885RAB9A 1446/4885CASP3 1815/4885

“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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