SCHEMBL8536108

SCHEMBL8536108

COc1cc([N+](=O)[O-])ccc1-c1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
TDP1 Q9NUW8 2/20 0.47
AMY1A P0DUB6 4/20 0.46
SMPD3 Q9NY59 1/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.43
AGTR1 P30556 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL5249670 0.80 MAPT (0.56) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL8539529 0.80 GPR35 (0.49) HTTTDP1PKMKMT2AMEN1
SCHEMBL3132515 0.78 LMNA (0.49) HTTTDP1AMY1APKMKMT2A
SCHEMBL31463535 0.78 AMY1A (0.48) HTTTDP1AMY1AL3MBTL1KMT2A
SCHEMBL5747525 0.78 MEN1 (0.46) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL8540776 0.78 AMY1A (0.48) HTTTDP1AMY1AL3MBTL1KMT2A
SCHEMBL8536128 0.78 NPC1 (0.43) HTTTDP1AMY1AL3MBTL1KMT2A
SCHEMBL9292469 0.77 NPC1 (0.44) TDP1L3MBTL1KMT2AMEN1NPC1
SCHEMBL4055359 0.77 HSD17B10 (0.49) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL6003238 0.76 PDE2A (0.55) HTTSMPD3CDK2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020717-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2021-12-15 EP disclosed
US-9873683-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2018-01-23 US disclosed
US-9840497-B2 2017-12-12 US disclosed
US-20160244434-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2016-08-25 US disclosed
EP-3020717-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2016-05-18 EP disclosed
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 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-20160244434-A1 P2X4 RECEPTOR ANTAGONIST P2RX1, P2RX7, P2RX2 HTT 4557/4885TDP1 3094/4885AMY1A 1405/4885

“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.