SCHEMBL31658922

SCHEMBL31658922

O=[N+]([O-])c1ccc(Br)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 3/20 0.56
▸ PTGES O14684 1/20 0.56
▸ MMP2 P08253 3/20 0.52
▸ MMP9 P14780 3/20 0.52
▸ MMP8 P22894 3/20 0.52
▸ MMP13 P45452 3/20 0.51
▸ GUSB P08236 1/20 0.49
▸ PDPK1 O15530 1/20 0.48
▸ MGAM O43451 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDR P35968 2/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ NPC1 O15118 3/20 0.46

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
SCHEMBL15396390 0.90 PTGES (0.56) AMY1APTGESMMP2MMP9MMP8
SCHEMBL2872555 0.83 GUSB (0.68) PTGESMMP2MMP9MMP8MMP13
SCHEMBL31679095 0.83 GUSB (0.68) PTGESMMP2MMP9MMP8MMP13
SCHEMBL30336425 0.83 GUSB (0.68) PTGESMMP2MMP9MMP8MMP13
SCHEMBL9725328 0.80 PDPK1 (0.61) AMY1APDPK1GAAMEN1MAPT
SCHEMBL3512712 0.79 NPC1 (0.67) AMY1APTGESPDPK1GAAMEN1
SCHEMBL7398037 0.77 GABRA1 (0.43) MMP2MMP9MMP8MMP13GUSB
SCHEMBL31429747 0.76 F2 (0.62) AMY1APTGESGUSBPDPK1GAA
SCHEMBL31658934 0.76 ALDH1A1 (0.67) AMY1APDPK1GAAMEN1MAPT
SCHEMBL1283869 0.76 NPC1 (0.67) AMY1APTGESPDPK1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250234768-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-07-17 — — US 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-20250234768-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, ICOSLG, OCIAD1 AMY1A 3139/4885PTGES 260/4885MMP2 4771/4885

“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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