SCHEMBL6256359

SCHEMBL6256359

CC([C](S)S)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.46
KCNA5 P22460 6/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KCNE1 P15382 2/20 0.41
CYP2D6 P10635 1/20 0.41
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 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
SCHEMBL4389584 0.86 CYP3A4 (0.60) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
SCHEMBL289898 0.86 CYP1A2 (0.56) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11193599 0.84 CYP1A2 (0.50) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
SCHEMBL27536605 0.81 CYP1A2 (0.64) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
SCHEMBL24239786 0.79 CYP3A4 (0.53) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
SCHEMBL3289319 0.79 CYP3A4 (0.62) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
SCHEMBL6264784 0.79 CYP3A4 (0.62) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
SCHEMBL933349 0.79 CYP3A4 (0.62) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
SCHEMBL4389588 0.79 CYP1A2 (0.53) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4
SCHEMBL27992715 0.79 CYP1A2 (0.53) CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031447-B1 NUCLEIC ACID-ENCAPSULATING POLYMER MICELLE COMPLEX AND METHOD FOR PRODUCING SAME JAPAN SCIENCE & TECH AGENCY (JP) 2019-12-25 EP disclosed
US-20160184457-A1 NUCLEIC ACID-ENCAPSULATING POLYMER MICELLE COMPLEX AND METHOD FOR PRODUCING SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-06-30 US disclosed
EP-3031447-A1 NUCLEIC ACID-ENCAPSULATING POLYMER MICELLE COMPLEX AND METHOD FOR PRODUCING SAME Japan Science and Technology Agency (JP) 2016-06-15 EP disclosed
EP-0786006-B1 CEPHALOSPORIN C AMIDOHYDROLASE, PRODUCTION AND USE GLAXO GROUP LTD (GB) 2005-09-28 EP disclosed
WO-2002083951-A1 MULTIPLEXED LIGAND/PROTEIN BINDING ASSAYS WITH PNA LABELS NORTHEASTERN UNIVERSITY (US) 2002-10-24 WO disclosed
US-6297032-B1 EXPRESSING ENZYME ASSOCIATED WITH THE DEGRADATION OF PREFERENTIAL ANTIBIOTIC; TRANSFORM AND CULTURE CELLS, RECOVER PREFERENTIAL PROTEIN GLAXO GROUP LIMITED (GB) 2001-10-02 US disclosed
US-5919648-A ONE STEP CONVERSION OF CEPHALOSPORIN C OR DERIVATIVE INTO 7-AMINOCEPHALOSPORANIC ACID OR DERIVATIVE USING AMINOHYDROLASE FROM PSUEDOMONAS VESICULARIS B965; FOR CEPHALOTHIN, CEPHALORIDINE, AND CEFUROXIME SYNTHESIS GLAXO GROUP LIMITED (GB) 1999-07-06 US disclosed
EP-0786006-A2 CEPHALOSPORIN C AMIDOHYDROLASE, PRODUCTION AND USE GLAXO GROUP LIMITED (GB) 1997-07-30 EP disclosed
WO-1996016174-A2 CEPHALOSPORIN C AMIDOHYDROLASE, PRODUCTION AND USE GLAXO GROUP LIMITED (GB) 1996-05-30 WO 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-20160184457-A1 NUCLEIC ACID-ENCAPSULATING POLYMER MICELLE COMPLEX AND METHOD FOR PRODUCING SAME POLM, DNA2, POLRMT CYP1A2 4882/4885CYP3A4 4878/4885SLC6A3 4336/4885

“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.