SCHEMBL3461978

SCHEMBL3461978

CNc1ccccc1CNCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ TSHR P16473 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CA12 O43570 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA9 Q16790 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AR P10275 1/20 0.37

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
SCHEMBL13495688 0.82 GAA (0.45) TMEM97SIGMAR1TSHRCYP2D6HIF1A
SCHEMBL1066003 0.79 ALDH1A1 (0.47) TMEM97SIGMAR1CA12CA2CA9
SCHEMBL29980892 0.79 ALDH1A1 (0.47) TMEM97SIGMAR1CA12CA2CA9
SCHEMBL11295500 0.79 IFNAR1 (0.46) TMEM97SIGMAR1CA12CA2CA9
SCHEMBL932125 0.75 TDP1 (0.40) TMEM97SIGMAR1CA12CA2CA9
SCHEMBL22385054 0.74 TMEM97 (0.52) TMEM97SIGMAR1TSHRCYP2D6CA12
SCHEMBL17258879 0.73 ALDH1A1 (0.49) TMEM97SIGMAR1TSHRCYP2D6KDM4E
SCHEMBL8337546 0.73 SETDB1 (0.50) TMEM97SIGMAR1CA12CA9KDM4E
SCHEMBL878974 0.72 TSHR (0.78) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL5315930 0.72 TRPV1 (0.40) TMEM97SIGMAR1TSHRCA12CA2

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 TMEM97 1760/4885SIGMAR1 3812/4885TSHR 4714/4885

“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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