Sugi Predict

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SCHEMBL210936

SCHEMBL210936

CC(=O)N(CCOC(=O)Nc1nc(C)c(C)s1)NCc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 7/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL4342546 0.86 RAB9A (0.58) ALDH1A1CYP1A2CYP2C19RAB9AMEN1
SCHEMBL211547 0.85 CSNK1D (0.46) ALDH1A1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL210507 0.84 CSNK1D (0.47) ALDH1A1CYP1A2CYP2C19RAB9AKMT2A
SCHEMBL8509643 0.84 KMT2A (0.48) ALDH1A1CYP1A2CYP2C19RAB9AMEN1
SCHEMBL2724176 0.83 KMT2A (0.42) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL211950 0.82 CSNK1D (0.45) ALDH1A1POLBCYP1A2CYP2C19RAB9A
SCHEMBL2880895 0.81 KMT2A (0.42) ALDH1A1POLBHSD17B10RAB9AMEN1
SCHEMBL211695 0.81 NPC1 (0.55) ALDH1A1CYP1A2CYP2C19HSD17B10RAB9A
SCHEMBL8510224 0.80 DYRK1A (0.49) ALDH1A1CYP1A2CYP2C19HSD17B10RAB9A
SCHEMBL212616 0.77 RAB9A (0.60) ALDH1A1HSD17B10RAB9AMEN1KMT2A

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 ALDH1A1 1710/4885POLB 2180/4885CYP1A2 1639/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ALDH1A1 1710/4885POLB 2180/4885CYP1A2 1639/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ALDH1A1 1710/4885POLB 2180/4885CYP1A2 1639/4885

“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.