Sugi Predict

Sugi Predict / Compounds / SCHEMBL5736112

SCHEMBL5736112

SCHEMBL5736112

O=CN(OCc1ccccc1)c1cc([N+](=O)[O-])c(CCO)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.36
▸ HNF4A P41235 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL5733910 0.89 MEN1 (0.37) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5733771 0.88 MEN1 (0.36) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5737111 0.79 MEN1 (0.39) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5732897 0.76 POLB (0.46) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6177706 0.71 RAB9A (0.45) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL9628111 0.71 CYP19A1 (0.46) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6197829 0.69 MEN1 (0.38) HSP90AA1HNF4AMEN1NPC1RAB9A
SCHEMBL6197825 0.69 MEN1 (0.38) HSP90AA1HNF4AMEN1NPC1RAB9A
SCHEMBL5735296 0.69 RAD52 (0.42) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL6177973 0.69 RAD52 (0.43) NPC1RAB9AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 — — EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 — — EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 — — US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 — — EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 — — US disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 — — WO 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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 HSP90AA1 3401/4885HNF4A 990/4885MEN1 1970/4885

“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.