Sugi Predict

Sugi Predict / Compounds / SCHEMBL8205875

SCHEMBL8205875

SCHEMBL8205875

COc1ncc([N+](=O)[O-])cc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RORC P51449 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ PKM P14618 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KAT2B Q92831 1/20 0.37

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
SCHEMBL15081220 0.86 CYP2C19 (0.42) CYP2C19KMT2ANPC1RAB9AOPRK1
SCHEMBL3318266 0.86 CTSV (0.48) CYP2C19KMT2ANPC1RAB9AOPRK1
SCHEMBL8326765 0.85 OPRK1 (0.50) CYP2C19KMT2ANPC1RAB9AOPRK1
SCHEMBL21441705 0.80 ALDH1A1 (0.41) CYP2C19KMT2ANPC1RAB9AMEN1
SCHEMBL1671569 0.79 SCN9A (0.34) CYP2C19KMT2AOPRK1MAPTALDH1A1
SCHEMBL3357119 0.78 ALDH1A1 (0.46) CYP2C19KMT2ANPC1RAB9AMEN1
SCHEMBL6958431 0.78 SMN1; SMN2 (0.43) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL14397169 0.77 ALDH1A1 (0.34) CYP2C19KMT2ANPC1RAB9AOPRK1
SCHEMBL3318394 0.76 GLA (0.49) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL31030199 0.76 HTT (0.41) CYP2C19KMT2AOPRK1MEN1HTT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975892-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2018-05-22 — — US disclosed
US-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 — — US disclosed
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 — — US disclosed
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2017-06-29 — — US disclosed
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2017-06-29 — — US disclosed
US-9573945-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2017-02-21 — — US disclosed
US-9573945-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2017-02-21 — — US disclosed
EP-2540722-B1 Novel anxiolytic compounds BIONOMICS LTD (AU) 2016-06-08 — — EP disclosed
US-20150166534-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2015-06-18 — — US disclosed
US-20150166534-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2015-06-18 — — US disclosed
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 — — US disclosed
US-20130012508-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 — — US disclosed
US-20130012508-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 — — US disclosed
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 — — US disclosed
EP-2540722-A1 Novel anxiolytic compounds Bionomics Limited (AU) 2013-01-02 — — EP disclosed
US-8293737-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2012-10-23 — — US disclosed
US-8293737-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2012-10-23 — — US disclosed
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2010-04-29 — — US disclosed
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2010-04-29 — — US disclosed
WO-2008046135-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2008-04-24 — — 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 (7 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-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 CYP2C19 294/4885KMT2A 2007/4885NPC1 944/4885
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 CYP2C19 360/4885KMT2A 2188/4885NPC1 1017/4885
US-20130012508-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 CYP2C19 360/4885KMT2A 2188/4885NPC1 1017/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 CYP2C19 360/4885KMT2A 2188/4885NPC1 1017/4885
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 CYP2C19 360/4885KMT2A 2188/4885NPC1 1017/4885
US-20150166534-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 CYP2C19 360/4885KMT2A 2188/4885NPC1 1017/4885
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 CYP2C19 360/4885KMT2A 2188/4885NPC1 1017/4885

“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.