SCHEMBL17548815

SCHEMBL17548815

Brc1cc2sc3ccc(I)cc3c2c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CDK9 P50750 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL16231227 0.83 GPR3 (0.50) GPR3MAOAMAOBPTPN1KDM4E
SCHEMBL29636513 0.83 GPR3 (0.50) GPR3MAOAMAOBPTPN1KDM4E
SCHEMBL22892800 0.81 KDM4E (0.53) GPR3MAOAMAOBPTPN1KDM4E
SCHEMBL29138555 0.80 GPR3 (0.44) GPR3MAOAMAOBPTPN1KDM4E
SCHEMBL17742496 0.78 GPR3 (0.35) GPR3MAOAMAOBPTPN1ALDH1A1
SCHEMBL31132113 0.78 GPR3 (0.35) GPR3MAOAMAOBPTPN1ALDH1A1
SCHEMBL17548826 0.77 PTPN1 (0.37) GPR3PTPN1KDM4EALDH1A1MAPT
SCHEMBL19544030 0.77 GPR3 (0.34) GPR3MAOAMAOBPTPN1ALDH1A1
SCHEMBL29819472 0.77 GPR3 (0.34) GPR3MAOAMAOBPTPN1KDM4E
SCHEMBL17252505 0.77 GPR3 (0.34) GPR3MAOAMAOBPTPN1KDM4E

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
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 GPR3 4701/4885MAOA 603/4885MAOB 1545/4885

“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.