Sugi Predict

Sugi Predict / Compounds / SCHEMBL536967

SCHEMBL536967

SCHEMBL536967

CCCC[CH]c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP2A6 P11509 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ NQO2 P16083 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40

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
SCHEMBL7493543 0.94 RELA (0.46) RELAALDH1A1KDM4EL3MBTL1CYP2A6
SCHEMBL10316555 0.93 RELA (0.44) RELAALDH1A1KDM4EL3MBTL1CYP2A6
SCHEMBL10317064 0.93 RELA (0.44) RELAALDH1A1KDM4EL3MBTL1CYP2A6
SCHEMBL7498639 0.88 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1CYP2A6
SCHEMBL29084182 0.84 HDAC1 (0.56) RELAALDH1A1NQO2SMN1; SMN2GLA
SCHEMBL29084177 0.84 HDAC1 (0.56) RELAALDH1A1NQO2SMN1; SMN2GLA
SCHEMBL140015 0.84 RELA (0.54) RELAALDH1A1KDM4EL3MBTL1CYP2A6
SCHEMBL7705710 0.81 RELA (0.47) RELAALDH1A1KDM4EL3MBTL1NQO2
SCHEMBL9559166 0.79 RELA (0.46) RELAALDH1A1KDM4EL3MBTL1CYP2A6
SCHEMBL6320373 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177509-A1 PRODUCTION OF BRIDGED ARTIFICIAL NUCLEOSIDES NIPPON SHOKUBAI CO., LTD. (JP) 2022-06-09 — — US disclosed
EP-3950696-A1 MANUFACTURING OF BRIDGED ARTIFICIAL NUCLEOSIDE Nippon Shokubai Co., Ltd. (JP) 2022-02-09 — — EP disclosed
CN-113710680-A Preparation of cross-linked artificial nucleosides 株式会社日本触媒 2021-11-26 — — CN disclosed
WO-2020204022-A1 MANUFACTURING OF BRIDGED ARTIFICIAL NUCLEOSIDE 株式会社日本触媒 2020-10-08 — — WO disclosed
US-10253360-B2 BNA clamp method BNA INC. (JP) 2019-04-09 — — US disclosed
EP-2902499-B1 BNA CLAMP METHOD BNA INC (JP) 2018-09-12 — — EP disclosed
EP-2902499-A9 BNA CLAMP METHOD BNA Inc. (JP) 2015-10-07 — — EP disclosed
US-20150240299-A1 BNA CLAMP METHOD BNA INC. (JP) 2015-08-27 — — US disclosed
EP-2902499-A1 BNA CLAMP METHOD BNA Inc. (JP) 2015-08-05 — — EP disclosed
EP-2415777-B1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL (JP) 2015-07-29 — — EP disclosed
US-20050176941-A1 Nucleoside analogues whose sugar moieties are bound in s-form and oligonucleotide derivatives comprising nucleotide analogues thereof TAKESHI IMANISHI (JP) 2005-08-11 — — US disclosed
EP-1486504-A1 NUCLEOSIDE ANALOGUES WHOSE SUGAR MOIETIES ARE BOUND IN S-FORM AND OLIGONUCLEOTIDE DERIVATIVES COMPRISING NUCLEOTIDE ANALOGUES THEREOF Imanishi, Takeshi (JP) 2004-12-15 — — EP disclosed
EP-1481983-A1 NUCLEOSIDE ANALOGUES AND OLIGONUCLEOTIDE DERIVATIVE COMPRISING NUCLEOTIDE ANALOGUE THEREOF Imanishi, Takeshi (JP) 2004-12-01 — — EP disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 — — US disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 — — EP disclosed
CN-1066729-C Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-06-06 — — CN disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 — — US disclosed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 — — US disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 — — EP disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 — — 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 (4 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-10253360-B2 BNA clamp method SLC28A1, SLC28A2, NAAA RELA 3495/4885ALDH1A1 3467/4885KDM4E 3865/4885
US-20050176941-A1 Nucleoside analogues whose sugar moieties are bound in s-form and oligonucleotide derivatives comprising nucleotide analogues thereof RNGTT, NSUN2, SNRPE RELA 2801/4885ALDH1A1 951/4885KDM4E 2298/4885
US-20150240299-A1 BNA CLAMP METHOD SLC28A1, SLC28A2, NAAA RELA 3495/4885ALDH1A1 3467/4885KDM4E 3865/4885
US-20220177509-A1 PRODUCTION OF BRIDGED ARTIFICIAL NUCLEOSIDES TYMP, PNP, TYMS RELA 4367/4885ALDH1A1 1539/4885KDM4E 3677/4885

“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.