SCHEMBL5397103

SCHEMBL5397103

Fc1ccc(Nc2n[nH]c(SCc3ccoc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 10/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
METAP2 P50579 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL5391718 0.88 METAP2 (0.43) KCNH3ALDH1A1METAP2MEN1KMT2A
SCHEMBL5396856 0.88 GAA (0.47) KCNH3ALDH1A1MAPK1METAP2MEN1
SCHEMBL5376587 0.80 MEN1 (0.41) ALDH1A1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL5385724 0.79 KCNH3 (0.54) KCNH3LMNAALDH1A1MAPK1METAP2
SCHEMBL5384683 0.79 KCNH3 (0.40) KCNH3LMNAMAPK1MEN1KMT2A
SCHEMBL5372028 0.77 POLA1 (0.45) KCNH3LMNAALDH1A1MEN1KMT2A
SCHEMBL5385617 0.77 METAP2 (0.49) LMNAALDH1A1METAP2NPC1MAPT
SCHEMBL5374355 0.77 METAP2 (0.47) ALDH1A1USP2METAP2KMT2ANPC1
SCHEMBL5385659 0.75 KCNH3 (0.36) KCNH3LMNAMAPK1MEN1KMT2A
SCHEMBL5384649 0.75 CDK2 (0.40) KCNH3LMNAMAPK1METAP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US claimed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US claimed
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP KCNH3 4520/4885LMNA 4783/4885ALDH1A1 1754/4885

“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.