Sugi Predict

Sugi Predict / Compounds / SCHEMBL1699168

SCHEMBL1699168

SCHEMBL1699168

O=[N+]([O-])c1cncnc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.41
▸ GPR35 Q9HC97 7/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ FTO Q9C0B1 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CTSB P07858 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ IDO1 P14902 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
SCHEMBL16742973 0.75 MEN1 (0.38) ERN1MEN1KMT2AHSP90AA1CYP1A2
SCHEMBL11746342 0.75 MEN1 (0.38) ERN1MEN1KMT2AHSP90AA1CYP1A2
SCHEMBL997756 0.75 PIN1 (0.41) ERN1GPR35MEN1KMT2ACYP1A2
SCHEMBL1437304 0.75 MEN1 (0.53) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2602424 0.75 ALDH1A1 (0.39) ERN1MEN1KMT2AHSP90AA1CYP1A2
SCHEMBL4070781 0.75 TDP1 (0.39) ERN1GPR35MEN1KMT2ACYP1A2
SCHEMBL4663306 0.75 MEN1 (0.35) ERN1MEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL31546288 0.73 MEN1 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL5656200 0.73 GPR35 (0.56) ERN1GPR35MEN1KMT2ACYP1A2
SCHEMBL1428681 0.71 HSP90AA1 (0.41) GPR35MEN1KMT2AHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 — — US disclosed
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 — — EP disclosed
US-20180155345-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-07 — — US disclosed
CN-107406421-A SGC STIMULATORS 铁木医药有限公司 2017-11-28 — — CN disclosed
EP-3194386-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-07-26 — — EP disclosed
CN-103153995-B Condensed heterocyclic compouds as phosphodiesterase (PDES) inhibitor 武田药品工业株式会社 2016-08-10 — — CN disclosed
WO-2016044446-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 — — WO disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 — — US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 — — US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 — — US disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 — — US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 — — US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 — — US disclosed
CN-103153995-A Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL 2013-06-12 — — CN disclosed
EP-2585462-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2013-05-01 — — EP disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 — — WO disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 — — US disclosed
US-4415566-A ANTIBIOTICS; BACTERIOSTATS; BACTERICIDES BOEHRINGER INGELHEIM GMBH (DE) 1983-11-15 — — US disclosed
EP-0022494-B1 BETA-LACTAM-COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-02-23 — — EP disclosed
EP-0022494-A1 Beta-lactam-compounds, process for their preparation and therapeutic agents containing them Dr. Karl Thomae GmbH (DE) 1981-01-21 — — 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 (5 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A ERN1 2769/4885GPR35 1283/4885MEN1 3708/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A ERN1 3333/4885GPR35 1480/4885MEN1 3479/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A ERN1 3333/4885GPR35 1480/4885MEN1 3479/4885
US-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 ERN1 1338/4885GPR35 418/4885MEN1 3638/4885
US-20180155345-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 ERN1 1338/4885GPR35 418/4885MEN1 3638/4885

“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.