SCHEMBL3064443

SCHEMBL3064443

Clc1nc(N(c2ccccc2)c2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.91
TDP1 Q9NUW8 2/20 0.91
MAPT P10636 6/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 1/20 0.49
JAK2 O60674 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
XBP1 P17861 1/20 0.41
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL6633842 0.95 ALDH1A1 (1.00) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL22356490 0.91 ALDH1A1 (0.91) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL77495 0.88 ALDH1A1 (0.70) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL3502325 0.86 ALDH1A1 (0.75) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL11892605 0.86 ALDH1A1 (0.68) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL17486036 0.85 ALDH1A1 (0.72) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL12998961 0.84 ALDH1A1 (0.66) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL30568850 0.82 TDP1 (0.68) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL28451008 0.80 MAPT (0.66) ALDH1A1TDP1MAPTHTTNPC1
SCHEMBL3500555 0.80 ALDH1A1 (0.66) ALDH1A1TDP1MAPTHTTNPC1

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 18 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
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US 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
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
US-20100258790-A1 USE OF DIPHENYLAMINO-BIS(PHENOXY)- AND BIS(DIPHENYLAMINO)-PHENOXYTRIAZINE COMPOUNDS BASF SE (DE) 2010-10-14 US disclosed
US-20100258790-A1 USE OF DIPHENYLAMINO-BIS(PHENOXY)- AND BIS(DIPHENYLAMINO)-PHENOXYTRIAZINE COMPOUNDS BASF SE (DE) 2010-10-14 US disclosed
US-20100258790-A1 USE OF DIPHENYLAMINO-BIS(PHENOXY)- AND BIS(DIPHENYLAMINO)-PHENOXYTRIAZINE COMPOUNDS BASF SE (DE) 2010-10-14 US disclosed
EP-2206175-A1 USE OF DIPHENYLAMINO-BIS(PHENOXY)- AND BIS(DIPHENYLAMINO)-PHENOXYTRIAZINE COMPOUNDS BASF SE (DE) 2010-07-14 EP disclosed
WO-2009053346-A1 USE OF DIPHENYLAMINO-BIS(PHENOXY)- AND BIS(DIPHENYLAMINO)-PHENOXYTRIAZINE COMPOUNDS BASF SE (DE) 2009-04-30 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 (5 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 1461/4885TDP1 2844/4885MAPT 452/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885TDP1 3559/4885MAPT 1084/4885
US-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885TDP1 3464/4885MAPT 1084/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885TDP1 3559/4885MAPT 1084/4885
US-20100258790-A1 USE OF DIPHENYLAMINO-BIS(PHENOXY)- AND BIS(DIPHENYLAMINO)-PHENOXYTRIAZINE COMPOUNDS TRPC6, KCNB1, CACNA1I ALDH1A1 2842/4885TDP1 3032/4885MAPT 263/4885

“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.