SCHEMBL98685

SCHEMBL98685

COc1ccc(CSc2nc(Cl)c3ncn(C)c3n2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 5/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
GFER P55789 1/20 0.49
PKM P14618 1/20 0.45
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1620970 0.87 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL98642 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL98697 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL98570 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL98696 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL98956 0.85 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL130128 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL98460 0.80 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL98799 0.78 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL97776 0.78 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19LMNAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD ALDH1A1 336/4885CYP1A2 2409/4885CYP2C19 1540/4885

“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.