SCHEMBL2180655

SCHEMBL2180655

CSC(=O)Nc1nc2c(F)c(Br)cc(-c3ncccc3F)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ ABL1 P00519 3/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1842573 0.87 NPC1 (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2179043 0.85 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2179449 0.85 MAPT (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1852504 0.84 ADORA2A (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1842575 0.83 NPC1 (0.34) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1845578 0.76 SMN1; SMN2 (0.38) ALDH1A1LMNASMN1; SMN2HCRTR1HCRTR2
SCHEMBL2180653 0.76 GPBAR1 (0.36) HCRTR1HCRTR2
SCHEMBL1841115 0.74 MEN1 (0.33) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL1842244 0.73 DYRK1A (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1843794 0.72 ABL1 (0.47) NPC1RAB9ASMN1; SMN2ABL1

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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI NPC1 3448/4885RAB9A 3428/4885MEN1 4372/4885

“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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