SCHEMBL5376498

SCHEMBL5376498

CCCCc1ccc(Nc2n[nH]c(SCc3cccs3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.47
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
POLA1 P09884 7/20 0.42
RECQL P46063 1/20 0.40
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP3 P42574 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL5377242 0.85 METAP2 (0.65) METAP2MAPTCYP1A2GAAHPGD
SCHEMBL7087117 0.84 POLA1 (0.44) MAPTCYP1A2CYP2D6CYP2C9ALOX12
SCHEMBL5379180 0.84 POLA1 (0.46) METAP2MAPTGAAPOLA1HPGD
SCHEMBL5373583 0.83 METAP2 (0.51) METAP2MAPTLMNAGAAHPGD
SCHEMBL5373504 0.83 METAP2 (0.62) METAP2MAPTCYP1A2CYP2C9LMNA
SCHEMBL5376986 0.82 METAP2 (0.50) METAP2MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5372028 0.81 POLA1 (0.45) MAPTLMNAGAAPOLA1HPGD
SCHEMBL5376706 0.80 METAP2 (0.48) METAP2MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5380350 0.80 METAP2 (0.47) METAP2GAAPOLA1HPGDSMN1; SMN2
SCHEMBL5381496 0.79 HPGD (0.47) METAP2MAPTPOLA1HPGDNPC1

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 2 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 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 METAP2 1/4885MAPT 2319/4885CYP1A2 1491/4885

“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.