SCHEMBL362368

SCHEMBL362368

C=Nc1c(C)cc(N(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TERT O14746 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL362146 0.74 RAPGEF4 (0.39) TSHRMAPTALDH1A1HSD17B10
SCHEMBL3693870 0.71 KMT2A (0.50) TSHRMAPTALDH1A1ALOX15HSD17B10
SCHEMBL7698213 0.71 TSHR (0.48) TSHRMAPTALDH1A1ALOX15HSD17B10
SCHEMBL13990206 0.71 TSHR (0.48) TSHRMAPTALDH1A1ALOX15HSD17B10
SCHEMBL11932674 0.69 MEN1 (0.30)
SCHEMBL11216375 0.67 TSHR (0.32) TSHR
SCHEMBL14037004 0.67 TSHR (0.44) TSHRMAPTALDH1A1ALOX15HSD17B10
SCHEMBL9638465 0.67 ALDH1A1 (0.52) TSHRMAPTALDH1A1ALOX15HSD17B10
SCHEMBL16359030 0.67 TSHR (0.44) TSHRMAPTALDH1A1ALOX15HSD17B10
SCHEMBL361279 0.67 ALDH1A1 (0.50) TSHRMAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311112-B1 ELECTRONIC DEVICES COMPRISING METAL COMPLEXES HAVING ISONITRILE LIGANDS MERCK PATENT GMBH (DE) 2012-03-14 EP disclosed
US-20110101327-A1 Electronic Devices Comprising Metal Complexes Having Isonitrile Ligands MERCK PATENT GMBH (DE) 2011-05-05 US 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-20110101327-A1 Electronic Devices Comprising Metal Complexes Having Isonitrile Ligands EXOC4, ICMT, NCLN TSHR 4338/4885MAPT 1038/4885ALDH1A1 2323/4885

“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.