SCHEMBL14756576

SCHEMBL14756576

O=C1N(Cc2ccccc2F)c2ccccc2C12NN=C(c1ccccc1)S2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 14/20 0.62
▸ MMP12 P39900 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC27A2 O14975 1/20 0.41

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
SCHEMBL29429414 0.87 ADAMTS5 (0.64) ADAMTS5MMP12ALDH1A1TP53MEN1
SCHEMBL14744656 0.87 ADAMTS5 (0.64) ADAMTS5MMP12ALDH1A1TP53MEN1
SCHEMBL14756571 0.85 ADAMTS5 (0.60) ADAMTS5MMP12ALDH1A1TP53MEN1
SCHEMBL14756575 0.85 ADAMTS5 (0.70) ADAMTS5MMP12ALDH1A1TP53MEN1
SCHEMBL14756574 0.85 ADAMTS5 (0.69) ADAMTS5MMP12ALDH1A1MEN1LMNA
SCHEMBL14744624 0.82 ADAMTS5 (0.56) ADAMTS5MMP12ALDH1A1MEN1LMNA
SCHEMBL6274220 0.82 ADAMTS5 (0.72) ADAMTS5MMP12ALDH1A1MEN1LMNA
SCHEMBL14756569 0.82 ADAMTS5 (0.71) ADAMTS5MMP12ALDH1A1TP53MEN1
SCHEMBL6278160 0.81 ADAMTS5 (0.64) ADAMTS5MMP12ALDH1A1TP53MEN1
SCHEMBL14744580 0.81 ADAMTS5 (0.62) ADAMTS5MMP12ALDH1A1MEN1LMNA

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 3102/4885ALDH1A1 196/4885

“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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