SCHEMBL14744685

SCHEMBL14744685

Cc1ccccc1C1=NNC2(S1)C(=O)N(Cc1ccccc1Cl)c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 11/20 0.53
▸ MMP12 P39900 1/20 0.53
▸ MAPT P10636 6/20 0.47
▸ TP53 P04637 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL14744656 0.86 ADAMTS5 (0.64) ADAMTS5MMP12MAPTTP53ALDH1A1
SCHEMBL29429414 0.86 ADAMTS5 (0.64) ADAMTS5MMP12MAPTTP53ALDH1A1
SCHEMBL15930573 0.82 ADAMTS5 (0.64) ADAMTS5MMP12MAPTTP53ALDH1A1
SCHEMBL30527426 0.82 ADAMTS5 (0.55) ADAMTS5MMP12MAPTTP53ALDH1A1
SCHEMBL14744646 0.82 ADAMTS5 (0.55) ADAMTS5MMP12MAPTTP53ALDH1A1
SCHEMBL14744626 0.80 ADAMTS5 (0.65) ADAMTS5MMP12MAPTTP53SMN1; SMN2
SCHEMBL15928244 0.79 ADAMTS5 (0.76) ADAMTS5MMP12MAPTTP53ALDH1A1
SCHEMBL14744602 0.77 ADAMTS5 (0.61) ADAMTS5MMP12MAPTTP53ALDH1A1
SCHEMBL6278160 0.76 ADAMTS5 (0.64) ADAMTS5MMP12MAPTTP53ALDH1A1
SCHEMBL14744617 0.75 ADAMTS5 (0.68) ADAMTS5MMP12MAPTSMN1; SMN2ADAMTS4

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 9 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-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
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
EP-2750508-A1 THERAPEUTIC COMPOUNDS AND METHODS Wayne State University (US) 2014-07-09 — — EP disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 — — WO 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 3102/4885MAPT 2808/4885

“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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