SCHEMBL12437837

SCHEMBL12437837

NCC(O)c1csc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.52
ALOX5 P09917 1/20 0.49
HTR1A P08908 9/20 0.48
HTR7 P34969 3/20 0.45
HTR1D P28221 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 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
Hydrochloric Acid SCHEMBL2321691 0.98 CYP2A6 (0.50) CYP2A6ALOX5HTR1AHTR7HTR1D
SCHEMBL25462183 0.81 ALOX5 (0.51) CYP2A6ALOX5HTR1AHTR7HTR1D
SCHEMBL2326181 0.80 ALOX5 (0.46) CYP2A6ALOX5HTR1AHTR7HTR1D
SCHEMBL14262914 0.80 ALOX5 (0.51) CYP2A6ALOX5HTR1AHTR1DSLC6A2
SCHEMBL6610537 0.80 MAPT (0.46) CYP2A6ALOX5HTR1AHTR7HTR1D
SCHEMBL6310788 0.77 SLC6A2 (0.60) ALOX5HTR1AHTR7HTR1DSLC6A2
SCHEMBL2967148 0.77 ALOX5 (0.55) CYP2A6ALOX5HTR1AHTR7HTR1D
SCHEMBL1095514 0.77 ALOX5 (0.55) CYP2A6ALOX5HTR1AHTR7HTR1D
SCHEMBL2326178 0.77 CA2 (0.56) CYP2A6ALOX5HTR1AHTR7HTR1D
Hydrochloric Acid SCHEMBL14775073 0.76 SLC6A2 (0.59) ALOX5HTR1AHTR7HTR1DSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
US-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2012-11-29 US disclosed
US-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2012-11-29 US disclosed
WO-2011097337-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF ADVANCED NEURAL DYNAMICS, INC. (US) 2011-08-11 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 (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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA CYP2A6 3402/4885ALOX5 3452/4885HTR1A 2642/4885
US-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF GRIK2, GRIK5, GRIN2A CYP2A6 2362/4885ALOX5 273/4885HTR1A 1491/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA CYP2A6 3402/4885ALOX5 3452/4885HTR1A 2642/4885

“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.