SCHEMBL13853804

SCHEMBL13853804

CNC(=O)N1CC[C@H](NC(=O)N2CCCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
KDM5B Q9UGL1 1/20 0.49
POLB P06746 3/20 0.48
DPP7 Q9UHL4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 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
SCHEMBL13853823 1.00 HTT (0.56) HTTKDM5BPOLBDPP7ALDH1A1
SCHEMBL13853789 0.98 HTT (0.59) HTTKDM5BPOLBDPP7ALDH1A1
SCHEMBL13853824 0.87 KDM4E (0.55) HTTKDM5BPOLBALDH1A1KDM4E
SCHEMBL13853791 0.86 SMN1; SMN2 (0.44) HTTKDM5BPOLBALDH1A1USP30
SCHEMBL13853820 0.83 CA1 (0.50) POLBCA1CA2CA12CA9
SCHEMBL13853798 0.83 CA1 (0.50) POLBCA1CA2CA12CA9
SCHEMBL10159314 0.83 KDM5A (0.49) KDM5BPOLB
SCHEMBL13853825 0.80 KDM5A (0.47) POLBCA1CA2
SCHEMBL10155587 0.80 KDM5A (0.47) HTTKDM5BPOLBMAPK1
SCHEMBL13853811 0.80 KDM5A (0.47) POLBCA1CA2

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-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (2 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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HTT 1026/4885KDM5B 4009/4885POLB 3678/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HTT 1026/4885KDM5B 4009/4885POLB 3678/4885

“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.