SCHEMBL2182204

SCHEMBL2182204

CCNC(=O)Nc1nc2c(F)c(-c3ccc(C(=O)N4CCCC(C(=O)O)C4)cc3)cc(-c3ncccc3F)c2s1.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ S1PR1 P21453 2/20 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
Lithium SCHEMBL2182213 0.99 NTRK1 (0.39) NTRK1ALDH1A1EPHX2HTTLMNA
Lithium Ion SCHEMBL2182209 0.93 ALDH1A1 (0.37) NTRK1ALDH1A1HTTLMNAPOLB
SCHEMBL2180817 0.92 HPGD (0.45) ALDH1A1LMNAPOLB
SCHEMBL2180642 0.90 MAP3K12 (0.39) NTRK1ALDH1A1HTTLMNAPOLB
Lithium SCHEMBL2180652 0.89 MAP3K12 (0.39) NTRK1ALDH1A1HTTLMNAPOLB
SCHEMBL1843124 0.85 RIPK1 (0.43) EPHX2L3MBTL1CDK2
Lithium Ion SCHEMBL2180645 0.83 ALDH1A1 (0.38) NTRK1ALDH1A1HTTLMNAPOLB
SCHEMBL1843498 0.83 ABL1 (0.42) —
SCHEMBL2181076 0.82 TP53 (0.47) ALDH1A1LMNA
SCHEMBL1843794 0.81 ABL1 (0.47) —

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 2 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

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 NTRK1 3890/4885ALDH1A1 2009/4885EPHX2 3349/4885

“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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