SCHEMBL212616

SCHEMBL212616

CC(=O)N(CCOC(=O)Nc1nc2ccccc2o1)NCc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ TP53 P04637 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ CSNK1D P48730 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AGPAT2 O15120 2/20 0.39
▸ SCD O00767 1/20 0.37
▸ GALK1 P51570 6/20 0.37
▸ TNF P01375 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL2723280 0.83 NPC1 (0.57) RAB9ANPC1TP53SMN1; SMN2CSNK1D
SCHEMBL4342546 0.80 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CSNK1DKDM4E
SCHEMBL212071 0.80 ALDH1A1 (0.56) RAB9ANPC1TP53SMN1; SMN2KDM4E
SCHEMBL211363 0.80 TP53 (0.44) RAB9ANPC1TP53SMN1; SMN2KDM4E
SCHEMBL2880895 0.78 KMT2A (0.42) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL210936 0.77 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2CSNK1DMEN1
SCHEMBL210507 0.76 CSNK1D (0.47) RAB9ANPC1SMN1; SMN2CSNK1DKDM4E
SCHEMBL211381 0.75 KMT2A (0.48) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL211547 0.75 CSNK1D (0.46) RAB9ANPC1SMN1; SMN2CSNK1DKDM4E
SCHEMBL209559 0.75 RAB9A (0.39) RAB9ANPC1TP53SMN1; SMN2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 — — US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885TP53 2206/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885TP53 2206/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885TP53 2206/4885

“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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