SCHEMBL14756572

SCHEMBL14756572

Cc1ccc(C2=NNC3(S2)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 16/20 0.68
▸ MMP12 P39900 1/20 0.64
▸ GFER P55789 1/20 0.51
▸ LMNA P02545 2/20 0.45
▸ ADAMTS4 O75173 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL18644811 0.93 ADAMTS5 (0.66) ADAMTS5MMP12GFERLMNAMAPT
SCHEMBL15928247 0.89 ADAMTS5 (0.78) ADAMTS5MMP12LMNAADAMTS4MAPT
SCHEMBL4355138 0.81 ADAMTS5 (1.00) ADAMTS5MMP12LMNAADAMTS4MAPT
SCHEMBL14756569 0.80 ADAMTS5 (0.71) ADAMTS5MMP12LMNAMAPTTP53
SCHEMBL14756575 0.79 ADAMTS5 (0.70) ADAMTS5MMP12LMNAMAPTTP53
SCHEMBL4356155 0.78 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4
SCHEMBL4192767 0.76 ADAMTS5 (1.00) ADAMTS5MMP12LMNAADAMTS4MAPT
SCHEMBL14747047 0.75 ADAMTS5 (0.68) ADAMTS5MMP12LMNAADAMTS4MAPT
SCHEMBL15930573 0.75 ADAMTS5 (0.64) ADAMTS5MMP12LMNAADAMTS4MAPT
SCHEMBL4354162 0.74 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4

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 3102/4885GFER 4363/4885

“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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