SCHEMBL5133628

SCHEMBL5133628

Nc1cccc2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.36
PNMT P11086 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9248662 0.83 MAPKAPK2 (0.30)
SCHEMBL425781 0.79 ALDH1A1 (0.32) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL116183 0.79 DRD2 (0.42) PNMTMEN1ALDH1A1MAPTKMT2A
SCHEMBL151908 0.79 ADRA2A (0.36) PNMTLMNA
SCHEMBL9128476 0.79
SCHEMBL36333 0.78 MAOA (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL10476775 0.78 MAOA (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL9160477 0.78 MAOA (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2472916 0.77 ADRA2A (0.35) PNMTLMNA
Hydrochloric Acid SCHEMBL585839 0.76 MAOA (0.37) KDM4EALDH1A1LMNAMAPTHPGD

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-20240207017-A1 APPARATUS AND METHODS FOR FILLING TEETH AND ROOT CANALS SONENDO INC (US) 2024-06-27 US disclosed
EP-3013277-B1 APPARATUS AND METHODS FOR FILLING TEETH AND ROOT CANALS SONENDO INC (US) 2023-07-19 EP disclosed
US-11701202-B2 Apparatus and methods for filling teeth and root canals SONENDO, INC. (US) 2023-07-18 US disclosed
US-20180371291-A1 COATING COMPOSITION, CURED FILM, LAMINATE, AND TIRE BRIDGESTONE CORPORATION (JP) 2018-12-27 US disclosed
US-20180360563-A1 APPARATUS AND METHODS FOR FILLING TEETH AND ROOT CANALS SONENDO, INC. 2018-12-20 US disclosed
EP-3395916-A1 COATING COMPOSITION, CURED FILM, LAMINATE, AND TIRE Bridgestone Corporation (JP) 2018-10-31 EP disclosed
US-20180214247-A1 SYSTEMS AND METHODS FOR OBTURATION OF ROOT CANALS PERCEPTIVE CREDIT HOLDINGS III, LP 2018-08-02 US disclosed
US-10035956-B2 Compound and liquid-crystal composition employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-07-31 US disclosed
WO-2018075652-A1 SYSTEMS AND METHODS FOR OBTURATION OF ROOT CANALS SONENDO, INC. (US) 2018-04-26 WO disclosed
US-9877801-B2 Apparatus and methods for filling teeth and root canals SONENDO, INC. (US) 2018-01-30 US disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 US disclosed
EP-0095587-B1 DENTAL COMPOSITE AND PORCELAIN REPAIR DEN-MAT CORPORATION (US) 1989-12-20 EP disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed
EP-0037604-B1 INITIATOR SYSTEM FOR RADIATION CURABLE COMPOSITIONS, RADIATION CURABLE COMPOSITIONS CONTAINING SUCH AN INITIATOR SYSTEM, A PROCESS FOR CURING SAID COMPOSITIONS AND PRODUCTS COVERED THEREWITH AKZO N.V. (NL) 1984-08-22 EP disclosed
EP-0095587-A2 Dental composite and porcelain repair DEN-MAT CORPORATION (US) 1983-12-07 EP disclosed
US-4411822-A A SULFONATE-CONTAINING BENZOIN DERIVATIVE, A GROUP 1A METAL SALT OF AN ORGANIC ACID AND A SOLVENT AKZO N.V. (NL) 1983-10-25 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 (1 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-10035956-B2 Compound and liquid-crystal composition employing the same ZYX, ZRANB2, CXXC4 CD44 4269/4885PNMT 2951/4885KDM4E 1993/4885

“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.