SCHEMBL18101303

SCHEMBL18101303

Brc1cc2c3ccccc3n(-c3ccc4sc5ccccc5c4c3)c2c2c1sc1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ TP53 P04637 3/20 0.32
▸ MAPT P10636 6/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PTPRC P08575 1/20 0.31
▸ PTPRF P10586 1/20 0.31
▸ PTPRA P18433 1/20 0.31
▸ PTPRB P23467 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN12 Q05209 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL18101099 0.88 ATM (0.44) PTPN1TP53MAPTRXFP1PTPRC
SCHEMBL18101369 0.87 PMM2 (0.37) PTPN1TP53MAPTRXFP1PTPRC
SCHEMBL18101367 0.86 PTPN1 (0.37) PTPN1TP53RXFP1PTPRCPTPRF
SCHEMBL18101307 0.85 PTPN1 (0.31) PTPN1RXFP1
SCHEMBL17228968 0.84 GPR3 (0.36) GPR3TP53MAPTRXFP1KDM4E
SCHEMBL20175731 0.84 PTPN1 (0.36) PTPN1TP53MAPTRXFP1PTPRC
SCHEMBL17405841 0.84 GPR3 (0.38) PTPN1GPR3TP53MAPTRXFP1
SCHEMBL16275856 0.84 GPR3 (0.38) PTPN1GPR3TP53MAPTRXFP1
SCHEMBL17297488 0.83 GPR3 (0.37) GPR3TP53MAPTRXFP1DUSP3
SCHEMBL17405406 0.83 GPR3 (0.37) GPR3TP53MAPTRXFP1DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201621-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-07-19 — — US disclosed
WO-2016153198-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2016-09-29 — — 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-20180201621-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 PTPN1 2899/4885GPR3 4643/4885TP53 3764/4885

“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.

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