SCHEMBL1986310

SCHEMBL1986310

CCOC(=O)c1sc(-c2cc([N+](=O)[O-])c3c(ccn3C)c2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.51
DBF4 Q9UBU7 5/20 0.51
XDH P47989 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 4/20 0.43
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
PTPN11 Q06124 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1987395 0.87 XDH (0.66) XDHALDH1A1KDM4ETHRATHRB
SCHEMBL460614 0.79 CDC7 (0.57) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3709672 0.79 CDC7 (0.52) CDC7DBF4XDHALDH1A1KDM4E
SCHEMBL17309802 0.79 CDC7 (0.56) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL8867203 0.79 CDC7 (0.56) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3715639 0.78 CDC7 (0.50) CDC7DBF4XDHALDH1A1KDM4E
SCHEMBL3709724 0.77 CDC7 (0.51) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL8868127 0.77 CDC7 (0.54) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL1985842 0.77 JMJD6 (0.52) ALDH1A1KDM4ELMNARAB9AMAPT
SCHEMBL8867231 0.76 CDC7 (0.48) CDC7DBF4ALDH1A1KDM4ELMNA

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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2338887-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2011-06-29 EP 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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, PON1, CBR1 CDC7 3107/4885DBF4 3228/4885XDH 1/4885

“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.