SCHEMBL5522971

SCHEMBL5522971

COC(=O)CCN(C)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
KDM4A O75164 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
SIGMAR1 Q99720 2/20 0.51
LTA4H P09960 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL21908927 0.90 LTA4H (0.62) SMN1; SMN2KDM4AKDM4CSIGMAR1LTA4H
SCHEMBL6878968 0.88 KDM4A (0.65) MEN1KMT2AKDM4AKDM4CSIGMAR1
SCHEMBL14028644 0.87 SMN1; SMN2 (0.51) SMN1; SMN2KDM4AKDM4CCARM1PRMT6
SCHEMBL40675 0.86 KDM4A (0.66) KMT2ASMN1; SMN2KDM4AKDM4CCARM1
SCHEMBL11559248 0.85 SMN1; SMN2 (0.52) SMN1; SMN2KDM4AKDM4CCARM1PRMT6
SCHEMBL3258895 0.85 TDP1 (0.54) TDP1LTA4HALDH1A1NPC1RAB9A
SCHEMBL5175327 0.85 TDP1 (0.54) MEN1KMT2ATDP1LTA4HALDH1A1
SCHEMBL1303146 0.84 LTA4H (0.62) MEN1KMT2ASMN1; SMN2KDM4AKDM4C
SCHEMBL5761072 0.83 KDM4E (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL12358653 0.82 TDP1 (0.52) MEN1KMT2ATDP1LTA4HALDH1A1

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-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US claimed
EP-3692372-B1 SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY HOFFMANN LA ROCHE (CH) 2024-04-17 EP disclosed
US-11370756-B2 Sulfoxide-based reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2022-06-28 US disclosed
US-11370756-B2 Sulfoxide-based reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2022-06-28 US disclosed
EP-3692372-A1 SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY H. Hoffnabb-La Roche Ag (CH) 2020-08-12 EP disclosed
US-20200199071-A1 SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2020-06-25 US disclosed
US-20200199071-A1 SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2020-06-25 US disclosed
WO-2019048450-A1 SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2019-03-14 WO disclosed
WO-2019048450-A1 SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2019-03-14 WO disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-8178712-B2 Process for the synthesis of Ibandronate sodium CIPLA LTD. (IN) 2012-05-15 US disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2010116132-A2 BISPHOSPHONATE COMPOUNDS FOR CHELATING RADIONUCLIDES KING'S COLLEGE LONDON (GB) 2010-10-14 WO disclosed
US-20100228052-A1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD. (IN) 2010-09-09 US disclosed
US-20100228052-A1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD. (IN) 2010-09-09 US disclosed
WO-2008035367-A2 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD. (IN) 2008-03-27 WO disclosed
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed
CN-1142222-A Diesters of carbonic acid endowed with antiviral and anti-inflammatory activity ITALFARMACO SPA (IT) 1997-02-05 CN 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 (3 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-11370756-B2 Sulfoxide-based reagent for mass spectrometry SRMS, MGMT, SQOR MEN1 3188/4885KMT2A 2569/4885SMN1; SMN2 1127/4885
US-20200199071-A1 SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY SRMS, MGMT, SQOR MEN1 3188/4885KMT2A 2569/4885SMN1; SMN2 1127/4885
US-20100228052-A1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM BPGM, SQLE, GGPS1 MEN1 876/4885KMT2A 3529/4885SMN1; SMN2 4264/4885

“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.