SCHEMBL3828658

SCHEMBL3828658

CC(=O)NCc1nc(C)c(CN)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SETDB1 Q15047 4/20 0.33
HDAC8 Q9BY41 1/20 0.33
KCNH2 Q12809 1/20 0.32
VHL P40337 1/20 0.32
ACACB O00763 1/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
MTNR1A P48039 1/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
Hydrochloric Acid SCHEMBL3829383 0.98 ELANE (0.43) ELANENPSR1ALDH1A1MAPTKDM4E
SCHEMBL3828653 0.77 ELANE (0.43) ELANENPSR1ALDH1A1MAPTKDM4E
SCHEMBL3822388 0.77 TSHR (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL3829380 0.76 ELANE (0.43) ELANENPSR1ALDH1A1MAPTKDM4E
SCHEMBL24015932 0.76 MTNR1A (0.42) ELANENPSR1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL3820282 0.72 LMNA (0.30)
SCHEMBL3822928 0.70 NPSR1 (0.36) NPSR1ALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL23011665 0.69 ELANE (0.41) ELANENPSR1ALDH1A1MAPTKDM4E
SCHEMBL3827997 0.69 PPARD (0.36) KMT2A
SCHEMBL3826608 0.67 KDM4E (0.33) KDM4E

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-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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 (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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 ELANE 2415/4885NPSR1 3657/4885ALDH1A1 775/4885

“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.