Sugi Predict

Sugi Predict / Compounds / SCHEMBL3445907

SCHEMBL3445907

SCHEMBL3445907

C=C(C(=[N+]=[N-])C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ MAPT P10636 1/20 0.55
▸ DAO P14920 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SRD5A2 P31213 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ FLT3 P36888 4/20 0.53
▸ LMNA P02545 2/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PDGFRB P09619 2/20 0.44
▸ PDGFRA P16234 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DRD2 P14416 1/20 0.43

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
SCHEMBL2190744 0.83 KDM4E (0.68) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL23902685 0.75 FLT3 (0.62) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL31154492 0.75 FLT3 (0.62) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL31255783 0.74 FLT3 (0.61) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL3976369 0.73 KDM4E (0.72) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL7890207 0.73 KDM4E (0.72) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL7890214 0.73 KDM4E (0.72) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL30381896 0.73 KDM4E (0.72) KDM4EMAPTDAOHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL1935 0.72 KDM4E (1.00) KDM4EMAPTDAOHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL29395165 0.72 KDM4E (1.00) KDM4EMAPTDAOHPGDSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816536-B2 enantioselective functionalization at the less reactive 4-position; alkenylation of the 4-(leaving group)-6,7-dihydro ring with an electron-withdrawing vinyldiazo compound using a a dirhodium catalyst; drug intermediate THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-10-19 — — US disclosed
US-20070004787-A1 enantioselective functionalization at the less reactive 4-position; alkenylation of the 4-(leaving group)-6,7-dihydro ring with an electron-withdrawing vinyldiazo compound using a a dirhodium catalyst; drug intermediate NATIONAL SCIENCE FOUNDATION 2007-01-04 — — US disclosed
WO-2006135804-A1 4-SUBSTITUTED AND 7-SUBSTITUTED INDOLES, BENZOFURANS, BENZOTHIOPHENES, BENZIMIDAZOLES, BENZOXAZOLES, AND BENZOTHIAZOLES AND METHODS FOR MAKING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-12-21 — — 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-20070004787-A1 enantioselective functionalization at the less reactive 4-position; alkenylation of the 4-(leaving group)-6,7-dihydro ring with an electron-withdrawing vinyldiazo compound using a a dirhodium catalyst; drug intermediate CYP3A4, CYP2D6, CYP3A7 KDM4E 108/4885MAPT 3885/4885DAO 23/4885

“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.