Sugi Predict

Sugi Predict / Compounds / SCHEMBL100634

SCHEMBL100634

SCHEMBL100634

CCOc1ccc(CSc2nc(N3C=COCC3)c3ncn(CC)c3n2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GFER P55789 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL171412 0.94 ALDH1A1 (0.45) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL100664 0.92 LMNA (0.45) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL97420 0.87 CTSS (0.32) MAPTCYP1A2CYP2C19
SCHEMBL130128 0.85 ALDH1A1 (0.47) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL132041 0.83 TDP1 (0.39) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL131532 0.82 YTHDC1 (0.32) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL97871 0.81 LMNA (0.42) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL1619293 0.81 ALDH1A1 (0.35) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL1286289 0.78 USP2 (0.32) MAPT
SCHEMBL1677201 0.78 MAPT (0.31) MAPTRAB9A

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 8 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
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.