SCHEMBL6532154

SCHEMBL6532154

COc1cc([N+](=O)[O-])c(C(N)=O)cc1OCCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP2D6 P10635 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHEK1 O14757 1/20 0.47
CYP2C9 P11712 1/20 0.46
TSHR P16473 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
KMT2A Q03164 1/20 0.45
MET P08581 1/20 0.44

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
SCHEMBL5499989 1.00 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5567501 0.91 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL361837 0.91 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7526518 0.91 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2927309 0.91 ALDH1A1 (0.54) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3284414 0.90 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL28341714 0.90 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27958219 0.88 CYP2D6 (0.66) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3709691 0.87 ALDH1A1 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3527664 0.87 ALDH1A1 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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
CN-110747489-B Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof 湖南大学 2021-05-07 CN disclosed
CN-110747489-A Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof 湖南大学 2020-02-04 CN disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-20100137586-A1 Process for the Preparation of Gefitinib CIPLA LIMITED (IN) 2010-06-03 US disclosed
US-20100137586-A1 Process for the Preparation of Gefitinib CIPLA LIMITED (IN) 2010-06-03 US disclosed
WO-2005070909-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GEFITINIB NATCO PHARMA LIMITED (IN) 2005-08-04 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-20100137586-A1 Process for the Preparation of Gefitinib EGFR, BRAF, KRAS KDM4E 1987/4885SMN1; SMN2 4673/4885ALDH1A1 2730/4885

“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.