Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL5799744

COc1ccc(Cc2nc(Cc3ccccc3)c[nH]2)cc1.S

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
KDR P35968 4/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL11771733 0.93 LTA4H (0.46) LTA4HGRIN1GRIN2BSMN1; SMN2KDM4E
SCHEMBL1723556 0.84 TAAR1 (0.48) MEN1KMT2ARAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL11105345 0.81 ALDH1A1 (0.44) LTA4HHPGDALDH1A1CYP2D6ATM
SCHEMBL13611378 0.80 LTA4H (0.46) LTA4HRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL6210283 0.80 LTA4H (0.51) LTA4HGRIN1GRIN2BMEN1KMT2A
SCHEMBL10905429 0.79 LTA4H (0.47) LTA4HGRIN1GRIN2BSMN1; SMN2L3MBTL1
SCHEMBL4081720 0.77 TAAR1 (0.41) MEN1KMT2AHPGDALDH1A1
SCHEMBL11961679 0.77 TAAR1 (0.41) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL10424271 0.76 LTA4H (0.44) LTA4HSMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL4439445 0.76 ALDH1A1 (0.51) LTA4HSMN1; SMN2KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115748-B2 Method of making imidazole-2-thiones ALLERGAN, INC. (US) 2006-10-03 US disclosed
WO-2006062890-A1 METHOD OF MAKING IMIDAZOLE-2-THIONES ALLERGAN, INC. (US) 2006-06-15 WO disclosed
US-20060122400-A1 Method of making imidazole-2-thiones ALLERGAN, INC. 2006-06-08 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-20060122400-A1 Method of making imidazole-2-thiones TST, INMT, TPMT LTA4H 3249/4885GRIN1 2688/4885GRIN2B 1411/4885

“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.