SCHEMBL15126830

SCHEMBL15126830

O=[N+]([O-])c1ccc2ccccc2c1-c1cc2sc3ccccc3c2c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CASP6 P55212 2/20 0.38
▸ NQO1 P15559 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HNF4A P41235 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CTSB P07858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL16218717 0.86 ALDH1A1 (0.46) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL16218715 0.82 HPRT1 (0.42) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL16218714 0.82 HPRT1 (0.42) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL19428578 0.81 CYP3A4 (0.46) HPRT1ALDH1A1TSHRMAPTHPGD
SCHEMBL16231228 0.80 ALDH1A1 (0.44) ALDH1A1TSHRTDP1MAPTCYP3A4
SCHEMBL19831833 0.79 HPRT1 (0.43) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL15462005 0.78 HPRT1 (0.44) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL19636320 0.78 HPRT1 (0.48) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL16218716 0.78 ALDH1A1 (0.46) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL19660346 0.78 HPRT1 (0.61) HPRT1ALDH1A1TSHRTDP1CASP6

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-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 — — US disclosed
US-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 — — US disclosed
WO-2013105747-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2013-07-18 — — 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-11706982-B2 Fused polycyclic compound, and preparation method and use thereof INF2, INTS9, PYM1 HPRT1 167/4885ALDH1A1 3407/4885TSHR 4105/4885

“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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