SCHEMBL19961730

SCHEMBL19961730

O=[N+]([O-])c1ccccc1-c1cccc2c1ccc1ccc3c4ccccc4sc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.39
▸ HPRT1 P00492 1/20 0.38
▸ SLC9A1 P19634 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ GUSB P08236 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ C1R P00736 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ S100A4 P26447 2/20 0.35
▸ PTPRC P08575 1/20 0.35

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
SCHEMBL4554345 0.85 PARP14 (0.49) ALDH1A1TDP1SLC9A1MGAMGAA
SCHEMBL19968138 0.81 HPRT1 (0.44) ALDH1A1TDP1HPRT1CYP19A1MGAM
SCHEMBL16856147 0.81 TDP1 (0.43) ALDH1A1TDP1SLC9A1MGAMGAA
SCHEMBL15139099 0.80 ALDH1A1 (0.44) ALDH1A1TDP1SLC9A1MGAMGAA
SCHEMBL22211955 0.79 ALDH1A1 (0.59) ALDH1A1TDP1HPRT1GAAGUSB
SCHEMBL17985436 0.79 TDP1 (0.53) ALDH1A1TDP1SLC9A1CYP19A1PARP14
SCHEMBL18666359 0.79 ALDH1A1 (0.44) ALDH1A1TDP1HPRT1MGAMGAA
SCHEMBL18553278 0.79 ALDH1A1 (0.44) ALDH1A1TDP1HPRT1MGAMGAA
SCHEMBL16218707 0.78 ALDH1A1 (0.43) ALDH1A1TDP1HPRT1CYP19A1MGAM
SCHEMBL18688060 0.78 ALDH1A1 (0.43) ALDH1A1TDP1HPRT1SLC9A1CYP19A1

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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — US disclosed
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — 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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 ALDH1A1 133/4885TDP1 3494/4885HPRT1 172/4885

“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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