SCHEMBL2724176

SCHEMBL2724176

Cc1nc(NC(=O)OCCN(C)C(=O)NCc2ccccc2Cl)sc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 2/20 0.40
POLB P06746 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 5/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL210238 0.86 RAB9A (0.55) KMT2AALDH1A1MEN1MAPTCYP1A2
SCHEMBL210923 0.86 SMN1; SMN2 (0.46) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL2724178 0.85 RAB9A (0.48) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL211273 0.85 MAPT (0.51) KMT2AALDH1A1MEN1MAPTCYP1A2
SCHEMBL209776 0.85 CSNK1D (0.51) KMT2AALDH1A1MEN1MAPTCYP1A2
SCHEMBL2722965 0.85 CSNK1D (0.46) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL2722984 0.84 CSNK1D (0.47) ALDH1A1MAPTCYP1A2CYP2C19RAB9A
SCHEMBL210936 0.83 ALDH1A1 (0.41) KMT2AALDH1A1MEN1USP2GAA
SCHEMBL211711 0.83 SMN1; SMN2 (0.50) KMT2AALDH1A1MEN1USP2GAA
SCHEMBL2723569 0.83 LMNA (0.49) KMT2AALDH1A1MEN1USP2GAA

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 8 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-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
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 KMT2A 2418/4885ALDH1A1 1710/4885MEN1 665/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KMT2A 2418/4885ALDH1A1 1710/4885MEN1 665/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KMT2A 2418/4885ALDH1A1 1710/4885MEN1 665/4885

“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.