SCHEMBL14756574

SCHEMBL14756574

COc1ccccc1CN1C(=O)C2(NN=C(c3ccccc3)S2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 17/20 0.69
▸ MMP12 P39900 1/20 0.69
▸ ADAMTS4 O75173 1/20 0.46
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SLC27A2 O14975 1/20 0.39

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
SCHEMBL15930573 0.87 ADAMTS5 (0.64) ADAMTS5MMP12ADAMTS4MEN1ALDH1A1
SCHEMBL29429414 0.85 ADAMTS5 (0.64) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL14744656 0.85 ADAMTS5 (0.64) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL14756576 0.85 ADAMTS5 (0.62) ADAMTS5MMP12MEN1ALDH1A1LMNA
SCHEMBL14756571 0.83 ADAMTS5 (0.60) ADAMTS5MMP12ADAMTS4MEN1ALDH1A1
SCHEMBL4356155 0.82 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4SCN9A
SCHEMBL6274220 0.82 ADAMTS5 (0.72) ADAMTS5MMP12ADAMTS4MEN1ALDH1A1
SCHEMBL15928246 0.81 ADAMTS5 (0.74) ADAMTS5MMP12ADAMTS4SCN9A
SCHEMBL14744626 0.81 ADAMTS5 (0.65) ADAMTS5MMP12ADAMTS4SMN1; SMN2SCN9A
SCHEMBL15928247 0.81 ADAMTS5 (0.78) ADAMTS5MMP12ADAMTS4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 — — US disclosed
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 — — US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 — — WO 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-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS XPOT, FANCI, XPO5 ADAMTS5 712/4885MMP12 3102/4885ADAMTS4 1124/4885

“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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