SCHEMBL1842060

SCHEMBL1842060

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.37
▸ ACHE P22303 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL1849172 0.99 TNF (0.37) TNFACHEP2RX7ABL1SMN1; SMN2
SCHEMBL1843503 0.93 ACHE (0.42) ACHEP2RX7ABL1SMN1; SMN2NPC1
Lithium Ion SCHEMBL1842051 0.93 ACHE (0.36) ACHEP2RX7ABL1SMN1; SMN2LMNA
SCHEMBL1842666 0.92 ACHE (0.42) ACHEP2RX7ABL1SMN1; SMN2NPC1
Lithium SCHEMBL1843522 0.91 ACHE (0.42) ACHEP2RX7ABL1SMN1; SMN2NPC1
SCHEMBL4544055 0.91 LMNA (0.40) ACHEP2RX7ABL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4542422 0.91 LMNA (0.40) ACHEP2RX7ABL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1843304 0.90 ACHE (0.40) ACHEP2RX7ABL1SMN1; SMN2LMNA
SCHEMBL2180521 0.88 KDM4E (0.37) ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL1843018 0.88 ABL1 (0.39) ABL1SMN1; SMN2NPC1RAB9A

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 TNF 3916/4885ACHE 17/4885P2RX7 1791/4885

“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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