SCHEMBL3336330

SCHEMBL3336330

CCOC(=O)C1=C(CCO)NC(=S)NC1c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.60
POLB P06746 2/20 0.56
DHFR P00374 2/20 0.56
GUSB P08236 1/20 0.55
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
ADORA2B P29275 4/20 0.47
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
KMT2A Q03164 1/20 0.44
TSHR P16473 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
SCHEMBL3341613 0.91 KIF11 (0.62) KIF11POLBDHFRGUSBALDH1A1
SCHEMBL3341625 0.91 KIF11 (0.59) KIF11POLBDHFRGUSBALDH1A1
SCHEMBL3343668 0.88 KIF11 (0.61) KIF11POLBDHFRGUSBALDH1A1
SCHEMBL3394543 0.88 KIF11 (0.74) KIF11POLBALDH1A1SMN1; SMN2ADORA2B
Monastrol SCHEMBL3168349 0.85 KIF11 (0.77) KIF11POLBDHFRGUSBALDH1A1
S-Menastrol SCHEMBL74457 0.85 KIF11 (0.77) KIF11POLBDHFRGUSBALDH1A1
SCHEMBL3335771 0.85 KIF11 (0.52) KIF11POLBDHFRGUSBALDH1A1
SCHEMBL3339245 0.83 KIF11 (0.51) KIF11POLBDHFRGUSBALDH1A1
SCHEMBL3340912 0.83 KIF11 (0.55) KIF11POLBDHFRGUSBALDH1A1
SCHEMBL14164096 0.82 KIF11 (0.61) KIF11POLBDHFRGUSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152206-A1 Bicyclic Dihydropyrimidines and Uses Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-06-17 US disclosed
US-20100152206-A1 Bicyclic Dihydropyrimidines and Uses Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-06-17 US disclosed
US-20100152206-A1 Bicyclic Dihydropyrimidines and Uses Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-06-17 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2006074293-A2 BICYCLIC DIHYDROPYRIMIDINES AS EG5 INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-07-13 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-20100152206-A1 Bicyclic Dihydropyrimidines and Uses Thereof KIF5A, KIF5C, KIF5B KIF11 14/4885POLB 507/4885DHFR 45/4885

“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.