SCHEMBL14507331

SCHEMBL14507331

NCC(=S)/C=C(/N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 1/20 0.37
BLM P54132 2/20 0.37
RECQL P46063 2/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1839901 0.79 MAPT (0.42) ALDH1A1BLMRECQLF2F10
SCHEMBL1839902 0.79 MAPT (0.42) ALDH1A1BLMRECQLF2F10
SCHEMBL12285402 0.79 MAPT (0.42) ALDH1A1BLMRECQLF2F10
SCHEMBL4240912 0.70 TDP1 (0.54) HDAC1HDAC2ALDH1A1BLMRECQL
SCHEMBL13762113 0.70 BLM (0.42) HDAC1HDAC2ALDH1A1BLMRECQL
SCHEMBL11858221 0.70 TDP1 (0.54) HDAC1HDAC2ALDH1A1BLMRECQL
SCHEMBL15506230 0.70 BLM (0.42) HDAC1HDAC2BLMRECQLF2
SCHEMBL11351433 0.70 BLM (0.42) HDAC1HDAC2BLMRECQLF2
SCHEMBL11858226 0.70 TDP1 (0.54) HDAC1HDAC2ALDH1A1BLMRECQL
SCHEMBL28337358 0.70 TDP1 (0.54) HDAC1HDAC2ALDH1A1BLMRECQL

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
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 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-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 HDAC1 648/4885HDAC2 785/4885ALDH1A1 2950/4885

“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.