SCHEMBL25643185

SCHEMBL25643185

C/C(=N\c1ccc(S)cc1)c1cncc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
PLAU P00749 1/20 0.30
SLC18A3 Q16572 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL27044477 0.86 HCAR2 (0.42) HCAR2NOS3NOS1SLC22A2SLC22A1
SCHEMBL25640332 0.86 HCAR2 (0.42) HCAR2NOS3NOS1SLC22A2SLC22A1
SCHEMBL25455385 0.82 HCAR2 (0.39) HCAR2NOS3NOS1
SCHEMBL27044617 0.79 LMNA (0.42) HCAR2NOS3NOS1
SCHEMBL25642229 0.79 ABL1 (0.51) HCAR2NOS3NOS1
SCHEMBL25642448 0.79 NOS1 (0.33) HCAR2NOS3NOS1
SCHEMBL25455406 0.77 ABL1 (0.43) HCAR2
SCHEMBL25455553 0.75 ADRB2 (0.37) HCAR2HDAC1HDAC6
SCHEMBL14395820 0.73 HCAR2 (0.52) HCAR2
SCHEMBL27047722 0.73 HCAR2 (0.52) HCAR2

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-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 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 (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-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 HCAR2 675/4885NOS3 1827/4885NOS1 1715/4885
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 HCAR2 675/4885NOS3 1827/4885NOS1 1715/4885
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections ACE2, ACE, SARS1 HCAR2 675/4885NOS3 1827/4885NOS1 1715/4885

“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.