Sugi Predict

Sugi Predict / Compounds / SCHEMBL6930370

SCHEMBL6930370

SCHEMBL6930370

O=[N+]([O-])c1cccc(Sc2cccc([N+](=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 6/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ GPR35 Q9HC97 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ TDP1 Q9NUW8 4/20 0.50
▸ TXNRD1 Q16881 1/20 0.50
▸ TXNRD3 Q86VQ6 1/20 0.50
▸ TXNRD2 Q9NNW7 1/20 0.50
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ PDE7B Q9NP56 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3192750 0.88 GPR35 (0.57) PDE7ASMN1; SMN2GPR35TSHRTDP1
SCHEMBL9709555 0.87 PDE7A (0.58) PDE7ASMN1; SMN2GPR35TSHRTDP1
SCHEMBL31272173 0.85 PDE7A (0.78) PDE7ASMN1; SMN2TDP1TXNRD1TXNRD3
SCHEMBL875772 0.85 PDE7A (0.78) PDE7ASMN1; SMN2TDP1TXNRD1TXNRD3
SCHEMBL2355829 0.84 PDE7A (0.57) PDE7ASMN1; SMN2GPR35TSHRTDP1
SCHEMBL2588026 0.84 GPR35 (0.58) PDE7ASMN1; SMN2GPR35TSHRTDP1
SCHEMBL944057 0.84 TSHR (0.53) PDE7ASMN1; SMN2GPR35TSHRTDP1
SCHEMBL2588027 0.84 GPR35 (0.58) PDE7ASMN1; SMN2GPR35TSHRTDP1
SCHEMBL3192742 0.84 GPR35 (0.53) PDE7ASMN1; SMN2GPR35TSHRTDP1
SCHEMBL2009807 0.84 GPR35 (0.53) PDE7ASMN1; SMN2GPR35TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 — — EP claimed
CN-111763162-A Diamine compound containing sulfoxide group bridge chain, and synthetic method and application thereof 武汉依麦德新材料科技有限责任公司 2020-10-13 — — CN claimed
US-12366579-B2 Sulfur-heterocycle exchange chemistry and uses thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-07-22 — — US disclosed
US-12011476-B2 Treatments of oxidative stress conditions THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-06-18 — — US disclosed
US-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-07-07 — — US disclosed
CN-113853372-A Thio-heterocyclic exchange chemistry and uses thereof 弗吉尼亚大学专利基金委员会 2021-12-28 — — CN disclosed
EP-3924348-A2 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF University of Virginia Patent Foundation (US) 2021-12-22 — — EP disclosed
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 — — EP disclosed
EP-2481759-B1 ISO-OLEFIN POLYMER AND PREPARATION METHOD THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 — — EP disclosed
WO-2020214336-A9 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-11-19 — — WO disclosed
WO-2020214336-A2 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-10-22 — — WO disclosed
CN-102597014-A Initiator system for cationic polymerization and polymerization method using same CHINA PETROLEUM & CHEMICAL 2012-07-18 — — CN disclosed
CN-102597011-A Iso-olefin polymer and preparation method thereof CHINA PETROLEUM & CHEMICAL 2012-07-18 — — CN disclosed
CN-102399311-A Cationic polymerization initiating system and polymerization method CHINA PETROLEUM & CHEMICAL 2012-04-04 — — CN disclosed
EP-1018984-A4 MEDICAL DEVICE FOR $i(IN VIVO) NITRIC OXIDE RELEASE CORDIS CORP (US) 2003-03-12 — — EP disclosed
US-6171232-B1 A DRUG DELIVERY OF NITROVASODILATORS BY A THIOL GROUP AGENT LOADED ONTO A MEDICAL DEVICE SUCH AS A STENT OR A CATHETER CORDIS CORPORATION 2001-01-09 — — US disclosed
EP-1018984-A1 MEDICAL DEVICE FOR $i(IN VIVO) NITRIC OXIDE RELEASE Cordis Corporation (US) 2000-07-19 — — EP disclosed
WO-1999000070-A1 MEDICAL DEVICE FOR IN VIVO NITRIC OXIDE RELEASE CORDIS CORPORATION (US) 1999-01-07 — — WO disclosed
US-5514770-A Sulfides of nitroamino triphenyl and substitution or amino functionalized products thereof and the method of preparing the same ANSONG OMARI (US) 1996-05-07 — — US disclosed
US-4512962-A Hormite inclusion complex with adsorbed sulphur or sulphur donor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-23 — — 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-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF TST, TPST2, SRMS PDE7A 3287/4885SMN1; SMN2 4167/4885GPR35 2298/4885
US-12366579-B2 Sulfur-heterocycle exchange chemistry and uses thereof TST, TPST2, SRMS PDE7A 3287/4885SMN1; SMN2 4167/4885GPR35 2298/4885

“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.