SCHEMBL3013000

SCHEMBL3013000

CC(=NNc1nc2ccccc2s1)C1=CCC(=S)C(c2ccc(C(=O)O)o2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.45
▸ NPC1 O15118 6/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ MAPT P10636 10/20 0.44
▸ MEN1 O00255 8/20 0.44
▸ KMT2A Q03164 8/20 0.44
▸ GAA P10253 8/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ BCL2L1 Q07817 2/20 0.43
▸ LMNA P02545 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RAF1 P04049 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ DYRK1A Q13627 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
SCHEMBL3010891 0.83 MAPT (0.48) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3009152 0.81 MAPT (0.47) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL3655494 0.80 RAB9A (0.44) RAB9ANPC1KDM4EATMMAPT
SCHEMBL3012995 0.77 MAPT (0.58) RAB9ANPC1KDM4EATMMAPT
SCHEMBL3013006 0.77 MAPT (0.58) RAB9ANPC1KDM4EATMMAPT
SCHEMBL3000257 0.75 MEN1 (0.61) RAB9ANPC1KDM4EATMMAPT
SCHEMBL3000254 0.75 MEN1 (0.61) RAB9ANPC1KDM4EATMMAPT
SCHEMBL3007465 0.70 BCL2L1 (0.56) RAB9ANPC1KDM4EATMMAPT
SCHEMBL3007462 0.70 BCL2L1 (0.56) RAB9ANPC1KDM4EATMMAPT
SCHEMBL3006618 0.70 BCL2L1 (0.56) RAB9ANPC1KDM4EATMMAPT

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-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 — — 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-20100197711-A1 BENZOTHIAZOLE COMPOUNDS BAD, BCL2, BAX RAB9A 3879/4885NPC1 2743/4885KDM4E 1470/4885

“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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