SCHEMBL17752901

SCHEMBL17752901

Clc1nc2ccccc2c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
PDE4B Q07343 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NT5E P21589 1/20 0.42
KMT2A Q03164 3/20 0.42
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 1/20 0.41
GPR3 P46089 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGES O14684 1/20 0.39
NPC1 O15118 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
SCHEMBL17752895 0.87 PTGES (0.41) HTTPDE4BTDP1NT5EMAPT
SCHEMBL515743 0.87 HTT (0.50) HTTPDE4BMAOAMAOBNT5E
SCHEMBL516091 0.80 TDP1 (0.59) HTTPDE4BMAOAMAOBTDP1
SCHEMBL3503005 0.79 KMT2A (0.45) HTTKMT2ARXFP1MEN1GPR3
SCHEMBL12481032 0.79 MAOA (0.44) MAOAMAOBTDP1KDM4EPKM
SCHEMBL29539036 0.79 GPR3 (0.66) HTTKMT2ARXFP1MEN1GPR3
SCHEMBL28538059 0.77 KMT2A (0.52) HTTPDE4BMAOAMAOBKDM4E
SCHEMBL4163817 0.76 MAOA (0.67) HTTMAOAMAOBTDP1KDM4E
SCHEMBL3856320 0.76 MAOA (0.67) HTTMAOAMAOBTDP1KDM4E
SCHEMBL18647353 0.74 PRNP (0.55) KMT2ARXFP1MEN1MAPTPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218368-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-10577342-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-03-03 US disclosed
WO-2016074755-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-05-19 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-10577342-B2 Materials for organic electroluminescent devices PIEZO1, L1CAM, EFNA1 HTT 2472/4885PDE4B 4386/4885MAOA 659/4885

“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.