SCHEMBL1843503

SCHEMBL1843503

CCNC(=O)Nc1nc2c(F)c(-c3cnc(N4CCN(CCC(=O)O)CC4)nc3)cc(-c3ccccn3)c2s1.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.42
▸ P2RX7 Q99572 2/20 0.42
▸ HTR1A P08908 3/20 0.38
▸ DRD3 P35462 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ ABL1 P00519 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ BCHE P06276 1/20 0.34

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
SCHEMBL1842666 0.99 ACHE (0.42) ACHEP2RX7HTR1ADRD3DRD2
Lithium SCHEMBL1843522 0.99 ACHE (0.42) ACHEP2RX7HTR1ADRD3DRD2
SCHEMBL1842060 0.93 TNF (0.37) ACHEP2RX7ABL1NPC1RAB9A
Lithium Ion SCHEMBL1843507 0.92 ACHE (0.41) ACHEP2RX7HTR1ADRD3DRD2
SCHEMBL1849172 0.92 TNF (0.37) ACHEP2RX7ABL1NPC1RAB9A
Hydrochloric Acid SCHEMBL1843304 0.91 ACHE (0.40) ACHEP2RX7HTR1ADRD3HTR2A
Lithium Ion SCHEMBL1842051 0.89 ACHE (0.36) ACHEP2RX7ABL1NPC1RAB9A
SCHEMBL2180521 0.87 KDM4E (0.37) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1843018 0.87 ABL1 (0.39) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1842053 0.86 ABL1 (0.35) ABL1NPC1RAB9ASMN1; SMN2

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 4 patents. 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 claimed
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US disclosed
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — WO 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 ACHE 17/4885P2RX7 1791/4885HTR1A 2692/4885

“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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