SCHEMBL19961765

SCHEMBL19961765

O=[N+]([O-])c1ccccc1-c1cccc2c1ccc1cc3c(cc12)c1ccccc1n3-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPRT1 P00492 1/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GUSB P08236 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ C1R P00736 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MPI P34949 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ KLK3 P07288 1/20 0.35
▸ PARP1 P09874 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
SCHEMBL15822883 0.84 KDM4E (0.43) KDM4EATML3MBTL1HPRT1MEN1
SCHEMBL31907 0.81 ALDH1A1 (0.50) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL16932047 0.80 ALDH1A1 (0.47) KDM4EATML3MBTL1HPRT1MEN1
SCHEMBL15821904 0.79 KDM4E (0.43) KDM4EATML3MBTL1HPRT1MEN1
SCHEMBL17548824 0.78 KDM4E (0.38) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL14756544 0.78 ALDH1A1 (0.50) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL20595209 0.78 KDM4E (0.46) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17861293 0.78 KDM4E (0.46) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL30562779 0.78 KDM4E (0.46) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL16932050 0.78 ALDH1A1 (0.47) KDM4EATML3MBTL1HPRT1MEN1

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-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 KDM4E 1697/4885ATM 2504/4885L3MBTL1 308/4885

“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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