SCHEMBL3461975

SCHEMBL3461975

CNc1ccccc1C[N]CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ AR P10275 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ATP4A P20648 1/20 0.33
▸ ATP4B P51164 1/20 0.33

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
SCHEMBL29980892 0.77 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL1066003 0.77 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL13715968 0.76 AR (0.41) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL932125 0.74 TDP1 (0.40) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL17146944 0.72 KAT2B (0.39) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL5315930 0.71 TRPV1 (0.40) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL3461978 0.71 TMEM97 (0.47) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL1682034 0.70 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL27603742 0.69 SLC16A3 (0.39) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL2536107 0.69 L3MBTL1 (0.43) ALDH1A1MAPTKDM4EPOLBL3MBTL1

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-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 — — US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 — — 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-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885MAPT 294/4885KDM4E 3267/4885

“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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