SCHEMBL5458734

SCHEMBL5458734

CCCCCCCCCC[N]CCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NAAA Q02083 1/20 0.48
DNM1 Q05193 6/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
SCHEMBL9205630 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL5465849 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL5467589 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL465480 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL465471 1.00
SCHEMBL5471582 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL7697182 0.93 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL277225 0.93 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL95733 0.93 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL4399689 0.93 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 TSHR 3553/4885THRB 2167/4885MEN1 1064/4885

“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.