SCHEMBL17413769

SCHEMBL17413769

Clc1nc2c3c(cccc3n1)-c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 4/20 0.41
JAK2 O60674 1/20 0.39
IGF1R P08069 1/20 0.39
PIM1 P11309 1/20 0.39
SRC P12931 1/20 0.39
CSNK2A2 P19784 1/20 0.39
KCNA5 P22460 1/20 0.39
JAK1 P23458 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
TYK2 P29597 1/20 0.39
FLT4 P35916 1/20 0.39
FLT3 P36888 1/20 0.39
MAP3K8 P41279 1/20 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
SCHEMBL20256150 0.86 MAPT (0.50) ALDH1A1TSHRMAPK1HSD17B10KDM4E
SCHEMBL10985872 0.83 ELANE (0.51) ALDH1A1KDM4EJAK2IGF1RPIM1
SCHEMBL19044531 0.78 NPY5R (0.41) ALDH1A1KDM4EJAK2IGF1RPIM1
SCHEMBL19044522 0.78 KDM4E (0.47) ALDH1A1MAPK1ATMKDM4EJAK2
SCHEMBL19792777 0.77 MAPT (0.44) ALDH1A1TSHRMAPK1ATMHSD17B10
SCHEMBL25470096 0.75 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1ATMHSD17B10
SCHEMBL20256152 0.75 GPR3 (0.44) ALDH1A1KDM4EJAK2IGF1RPIM1
SCHEMBL19045020 0.74 L3MBTL1 (0.43) ALDH1A1L3MBTL1KDM4EJAK2IGF1R
SCHEMBL18132488 0.74 MEN1 (0.42) ALDH1A1KDM4ESRCCDK2SMN1; SMN2
SCHEMBL19161214 0.73 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1ATMHSD17B10

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 8 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-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
WO-2022148717-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-14 WO disclosed
WO-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO 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
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 1461/4885TSHR 4417/4885MAPK1 2937/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885TSHR 4518/4885MAPK1 4030/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885TSHR 4518/4885MAPK1 4030/4885

“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.