SCHEMBL8405748

SCHEMBL8405748

COc1cc(CC#N)c([N+](=O)[O-])cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
CYP2D6 P10635 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 4/20 0.49
CYP3A4 P08684 3/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C19 P33261 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.44
HTT P42858 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
SCHEMBL187211 0.89 ALDH1A1 (0.46) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL188196 0.89 ALDH1A1 (0.46) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL1197076 0.88 ALDH1A1 (0.45) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL31275823 0.88 ALDH1A1 (0.45) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL20854267 0.85 ALDH1A1 (0.54) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL7078048 0.84 HTR2A (0.43) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL28046868 0.84 ALDH1A1 (0.44) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL4995768 0.83 ALDH1A1 (0.46) ALDH1A1CYP2D6L3MBTL1SMN1; SMN2HPGD
SCHEMBL15927414 0.83 ALDH1A1 (0.46) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL124590 0.81 ALDH1A1 (0.63) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A

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
WO-2016110237-A1 Α-CARBOLINE COMPOUND , PREPARATION METHOD THEREFOR AND USES THEREOF 中国科学院上海药物研究所 2016-07-14 WO disclosed
US-9284272-B2 Inhibitors of histone methyltransferase G9a ABBVIE INC. (US) 2016-03-15 US disclosed
US-20150274660-A1 INHIBITORS OF HISTONE METHYLTRANSFERASE G9a ABBVIE INC. 2015-10-01 US disclosed
EP-0826669-B1 Composition for dyeing keratin fibres containing 2-iminoindol derivatives OREAL (FR) 1999-06-30 EP disclosed
US-5876465-A Compositions for dyeing keratin fibres containing 2-iminoindoline derivatives and dyeing process L'OREAL (FR) 1999-03-02 US disclosed
EP-0826669-A1 Composition for dyeing keratin fibres L'OREAL (FR) 1998-03-04 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-20150274660-A1 INHIBITORS OF HISTONE METHYLTRANSFERASE G9a EHMT1, EHMT2, EZH2 ALDH1A1 1370/4885CYP2D6 4663/4885L3MBTL1 143/4885

“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.