SCHEMBL1844044

SCHEMBL1844044

CCNC(=O)Nc1nc2c(F)c(-c3ccc(N4CCNCC4)nc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 5/20 0.45
▸ HDAC1 Q13547 5/20 0.45
▸ ABL1 P00519 4/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ USP28 Q96RU2 1/20 0.38
▸ USP25 Q9UHP3 1/20 0.38
▸ FLT3 P36888 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ GAS6 Q14393 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ACVR1B P36896 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL1843018 0.92 ABL1 (0.39) HDAC2HDAC1ABL1USP28USP25
SCHEMBL1846424 0.92 ACVR1B (0.44) HDAC2HDAC1ABL1CNR2FLT3
Hydrochloric Acid SCHEMBL1843261 0.91 ABL1 (0.38) HDAC2HDAC1ABL1USP28USP25
SCHEMBL1846451 0.91 PIK3CA (0.45) ABL1CNR2
SCHEMBL4544055 0.89 LMNA (0.40) ABL1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL1841704 0.89 HDAC2 (0.40) HDAC2HDAC1ABL1HDAC3IKBKE
Hydrochloric Acid SCHEMBL4542422 0.88 LMNA (0.40) ABL1CNR2FLT3NPC1RAB9A
SCHEMBL1840483 0.88 ABL1 (0.37) ABL1CNR2
Hydrochloric Acid SCHEMBL1841930 0.87 ABL1 (0.36) ABL1CNR2
SCHEMBL2179168 0.86 FLT3 (0.40) HDAC2HDAC1ABL1USP28USP25

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 HDAC2 488/4885HDAC1 164/4885ABL1 1206/4885

“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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