Sugi Predict

Sugi Predict / Compounds / SCHEMBL7942553

SCHEMBL7942553

SCHEMBL7942553

CC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.50
▸ SLC22A12 Q96S37 2/20 0.49
▸ XDH P47989 1/20 0.47
▸ HTT P42858 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ HSD17B1 P14061 2/20 0.42
▸ F11 P03951 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39

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
SCHEMBL6970906 0.85 PKM (0.46) PKMHTTPOLBHSD17B1NR4A1
SCHEMBL106260 0.82 XDH (0.61) SLC22A12XDHHTTPOLBF11
SCHEMBL7662707 0.81 VNN1 (0.45) PKMHSD17B1MAPTALDH1A1MEN1
SCHEMBL17663953 0.81 SLC22A12 (0.49) SLC22A12XDHF11CYP11B2GCGR
SCHEMBL2662805 0.80 XDH (0.48) SLC22A12XDHHTTGCGR
SCHEMBL399625 0.80 CA1 (0.62) SLC22A12XDHHTTPOLBMAPT
SCHEMBL30863575 0.80 CA1 (0.62) SLC22A12XDHHTTPOLBMAPT
SCHEMBL24494667 0.79 VCAM1 (0.46) SLC22A12MAPTALDH1A1MEN1KMT2A
SCHEMBL3734286 0.79 PRKCI (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL22811356 0.79 GRM4 (0.44) PKMMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111410654-B Synthesis of 3-bromo-5- (2-ethylimidazo [1,2-a ] pyridine-3-carbonyl) -2-hydroxybenzonitrile 江苏新元素医药科技有限公司 2022-05-17 — — CN disclosed
EP-3915984-A1 SYNTHESIS OF 3-BROMO-5-(2-ETHYLIMIDAZO[1,2-alpha]PYRIDINE-3-CARBONYL)-2-HYDROXYBENZONITRILE Jiangsu Atom Bioscience and Pharmaceutical Co., Ltd. (CN) 2021-12-01 — — EP disclosed
WO-2020147803-A1 SYNTHESIS OF 3-BROMO-5-(2-ETHYLIMIDAZO[1,2-α]PYRIDINE-3-CARBONYL)-2-HYDROXYBENZONITRILE 江苏新元素医药科技有限公司 2020-07-23 — — WO disclosed
WO-2020147803-A1 SYNTHESIS OF 3-BROMO-5-(2-ETHYLIMIDAZO[1,2-α]PYRIDINE-3-CARBONYL)-2-HYDROXYBENZONITRILE 江苏新元素医药科技有限公司 2020-07-23 — — WO disclosed
CN-111410654-A Synthesis of 3-bromo-5- (2-ethylimidazo [1,2-a ] pyridine-3-carbonyl) -2-hydroxybenzonitrile 江苏新元素医药科技有限公司 2020-07-14 — — CN disclosed
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 — — EP disclosed
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 — — EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 — — CN disclosed
WO-2014104384-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF 住友化学株式会社 (JP) 2014-07-03 — — WO disclosed
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2014-02-06 — — US disclosed
US-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2014-02-06 — — US disclosed
US-8481534-B2 5- and 6-membered heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-8481534-B2 5- and 6-membered heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2011-07-28 — — US disclosed
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS FMR LLC 2011-07-28 — — US disclosed
WO-2009158473-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 — — WO disclosed
US-5026729-A Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1991-06-25 — — 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 (2 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-20140038965-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS PDE7A, ACHE, PDE5A PKM 1273/4885SLC22A12 4105/4885XDH 289/4885
US-20110183976-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ACHE, PDE7A, PDE5A PKM 1319/4885SLC22A12 4096/4885XDH 291/4885

“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.