SCHEMBL97871

SCHEMBL97871

CCOc1ccc(CSc2nc(N3CCOC(OCC)C3)c3ncn(CC)c3n2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
CNR2 P34972 1/20 0.34
GFER P55789 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL97904 0.87 ALDH1A1 (0.44) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL1620825 0.84 ALDH1A1 (0.33) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL98833 0.84 TDP1 (0.38) MAPTSMN1; SMN2ALDH1A1RAB9ACNR2
SCHEMBL100748 0.84 CNR2 (0.35) ALDH1A1CNR2
SCHEMBL100634 0.81 LMNA (0.44) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL97776 0.81 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL98799 0.76 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL99160 0.76 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1RAB9AGFER
SCHEMBL99474 0.76 PIK3CA (0.35) LMNAMAPTSMN1; SMN2ALDH1A1CNR2
SCHEMBL1674720 0.76 PIK3CA (0.31) ALDH1A1

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 12 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 claimed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP claimed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US claimed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP claimed
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
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 LMNA 3984/4885MAPT 4571/4885SMN1; SMN2 2974/4885

“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.