SCHEMBL4983832

SCHEMBL4983832

O=C1N(c2ccccc2)c2ccccc2C12NN=C(c1ccccc1)S2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 1.00
▸ MMP12 P39900 1/20 0.53
▸ ADAMTS4 O75173 1/20 0.52
▸ SLC27A2 O14975 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL4351598 0.83 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4SLC27A2ALDH1A1
SCHEMBL4978954 0.80 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4SLC27A2ALDH1A1
SCHEMBL6274220 0.80 ADAMTS5 (0.72) ADAMTS5MMP12ADAMTS4SLC27A2ALDH1A1
SCHEMBL4355104 0.80 ADAMTS5 (0.72) ADAMTS5MMP12ADAMTS4SLC27A2ALDH1A1
SCHEMBL4987474 0.77 ADAMTS5 (0.64) ADAMTS5MMP12SLC27A2ALDH1A1MEN1
SCHEMBL15930573 0.77 ADAMTS5 (0.64) ADAMTS5MMP12ADAMTS4ALDH1A1MEN1
SCHEMBL4346351 0.76 ADAMTS5 (0.63) ADAMTS5MMP12ADAMTS4
SCHEMBL6277583 0.76 ADAMTS5 (0.65) ADAMTS5MMP12ADAMTS4SLC27A2ALDH1A1
SCHEMBL14756569 0.76 ADAMTS5 (0.71) ADAMTS5MMP12ALDH1A1MEN1LMNA
SCHEMBL4192767 0.75 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4ALDH1A1LMNA

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-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 — — US claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 — — 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-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 ADAMTS5 1/4885MMP12 26/4885ADAMTS4 4/4885

“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.

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