SCHEMBL5470733

SCHEMBL5470733

O=C(Nc1nccc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MITF O75030 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ PIK3CA P42336 4/20 0.54
▸ PIK3CB P42338 4/20 0.54
▸ PIK3CG P48736 4/20 0.54
▸ CAMK2D Q13557 2/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ JAK2 O60674 1/20 0.51
▸ PLK1 P53350 1/20 0.50
▸ TDP2 O95551 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ PRKD3 O94806 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ PRKCB P05771 1/20 0.48

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
SCHEMBL5465315 0.87 PLK1 (0.61) MEN1KMT2ARAB9AADORA1JAK2
SCHEMBL21373454 0.86 PIK3CA (0.60) MEN1KMT2ARAB9APIK3CAPIK3CB
SCHEMBL5470852 0.86 ADORA1 (0.69) NPC1RAB9AADORA1PIK3CGCAMK2D
SCHEMBL5472823 0.82 ADORA1 (0.57) MEN1KMT2ANPC1RAB9AADORA1
SCHEMBL5472470 0.82 ADORA3 (0.65) ADORA1CAMK2DADORA3JAK2PRKD3
SCHEMBL5473232 0.82 DYRK1A (0.63) MEN1KMT2ANPC1RAB9AADORA1
SCHEMBL31339983 0.82 PIK3CA (0.51) MEN1KMT2APOLBPIK3CAPIK3CB
SCHEMBL5472905 0.81 NPC1 (0.64) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL26673907 0.80 KMT2A (0.60) MEN1KMT2ANPC1MITFPOLB
SCHEMBL5472976 0.79 PIK3CA (0.59) NPC1RAB9AADORA1PIK3CAPIK3CB

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-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 — — US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR MEN1 2400/4885KMT2A 2631/4885NPC1 1950/4885

“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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