SCHEMBL13179896

SCHEMBL13179896

O=Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.44
▸ HDAC8 Q9BY41 2/20 0.43
▸ KMO O15229 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MGLL Q99685 3/20 0.41
▸ HTT P42858 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ATM Q13315 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ ACMSD Q8TDX5 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PRSS1 P07477 1/20 0.38

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
SCHEMBL23911886 0.80 HSD17B1 (0.58) ALDH1A1CYP3A4HSD17B10LMNA
SCHEMBL3181549 0.80 MAOA (0.48) MAOAHDAC8KMOHDAC4HDAC2
SCHEMBL1275147 0.79 NOS1 (0.42) MAOAALDH1A1HTTCYP3A4TSHR
SCHEMBL27259386 0.79 ESR1 (0.52) ALDH1A1HTTCYP3A4TSHRHSD17B10
SCHEMBL464532 0.77 ALDH1A1 (0.56) ALDH1A1MGLLHTTCYP3A4TSHR
SCHEMBL23769123 0.77 MKNK1 (0.51) —
SCHEMBL29159713 0.76 MAOA (0.44) MAOAHDAC8KMOHDAC4HDAC2
Nitrosobenzene SCHEMBL103117 0.76 — —
Nitrosobenzene SCHEMBL3176061 0.76 — —
Nitrosobenzene SCHEMBL28014686 0.76 ALDH1A1 (0.59) ALDH1A1HTTCYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159566-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME SFC CO., LTD. (KR) 2023-05-25 — — US disclosed
US-20230159566-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME SFC CO., LTD. (KR) 2023-05-25 — — US disclosed
EP-4137497-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME SFC Co., Ltd. (KR) 2023-02-22 — — EP disclosed
CN-108290861-A 1- cyano-pyrolidin derivatives as USP30 inhibitor 特殊治疗有限公司 2018-07-17 — — CN disclosed
US-20120257907-A1 PHTHALOCYANINE CRYSTAL, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE AND IMAGE-FORMING DEVICE USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-11 — — US disclosed
US-20100232830-A1 PHTHALOCYANINE CRYSTAL, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE AND IMAGE-FORMING DEVICE USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-09-16 — — 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-20230159566-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CLTB, CD79B, CYBA MAOA 671/4885HDAC8 4094/4885KMO 3951/4885

“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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