SCHEMBL14973141

SCHEMBL14973141

CN(C)CCNS(=O)(=O)c1cccc(C(=N)NO)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.50
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
AKR1C3 P42330 3/20 0.45
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL14973311 0.84 TSHR (0.60) MEP1BHDAC6TSHRNPSR1ALDH1A1
SCHEMBL4059272 0.83 ALDH1A1 (0.63) MEP1BHDAC2HDAC8HDAC6CYP2C19
SCHEMBL26731607 0.83 CYP2C19 (0.70) MEP1BCYP2C19TSHRNPSR1ALDH1A1
SCHEMBL2850679 0.82 CYP2C19 (0.53) MEP1BHDAC2HDAC8HDAC6CYP2C19
SCHEMBL26731616 0.81 CYP2C19 (0.52) MEP1BCYP2C19TSHRNPSR1ALDH1A1
SCHEMBL1348562 0.79 ATM (0.62) TSHRNPSR1ALDH1A1KMT2AATM
Hydrochloric Acid SCHEMBL7966569 0.78 ATM (0.61) CYP2C19TSHRNPSR1ALDH1A1KMT2A
SCHEMBL14972942 0.78 LMNA (0.50) MEP1BHDAC2HDAC8HDAC6ALDH1A1
SCHEMBL4237642 0.78 ALDH1A1 (0.51) MEP1BHDAC2HDAC8HDAC6CYP2C19
SCHEMBL4237644 0.78 ALDH1A1 (0.51) MEP1BHDAC2HDAC8HDAC6CYP2C19

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
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A MEP1B 3646/4885HDAC2 205/4885HDAC8 1570/4885

“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.