SCHEMBL17413680

SCHEMBL17413680

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccccc5n4)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
KDM4E B2RXH2 7/20 0.56
MAPT P10636 6/20 0.56
HPGD P15428 5/20 0.56
LMNA P02545 3/20 0.56
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
AR P10275 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.53
GMNN O75496 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
THPO P40225 1/20 0.51

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
SCHEMBL28593232 0.97 RAB9A (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL25817187 0.95 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL24184939 0.94 NPC1 (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17343383 0.94 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL25817103 0.93 RAB9A (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17413702 0.92 NPC1 (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL25817183 0.92 MEN1 (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17343356 0.92 NPC1 (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17944841 0.92 RAB9A (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL17945805 0.90 KDM4E (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 US disclosed
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
EP-3160976-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
WO-2016000803-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-01-07 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 (3 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-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF ALDH1A1 1461/4885MEN1 2141/4885KMT2A 1055/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885MEN1 766/4885KMT2A 2648/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885MEN1 766/4885KMT2A 2648/4885

“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.