SCHEMBL4500811

SCHEMBL4500811

CCNc1nc2cc3sc(NCC)nc3cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
GAA P10253 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
SHMT2 P34897 1/20 0.42
MAPK14 Q16539 1/20 0.42
RIPK1 Q13546 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39

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
SCHEMBL4513162 0.94 POLB (0.49) NPC1RAB9AGAAPOLBMAPK1
SCHEMBL4511805 0.93 POLB (0.45) NPC1RAB9AGAAPOLBMAPK1
SCHEMBL4512261 0.84 RIPK1 (0.50) NPC1RAB9AGAAMAPK1RIPK1
SCHEMBL15451030 0.82 DYRK1A (0.59) NPC1RAB9APOLBRIPK1SMN1; SMN2
SCHEMBL8019525 0.82 NPC1 (0.59) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL7984841 0.81 SMN1; SMN2 (0.56) NPC1RAB9AGAAPOLBMAPK14
SCHEMBL27864412 0.81 MAPT (0.64) NPC1RAB9AGAAPOLBMAPK1
SCHEMBL19141067 0.81 DYRK1A (0.46) NPC1RAB9AGAAPOLBMAPK14
SCHEMBL3795843 0.81 DYRK1A (0.60) NPC1RAB9APOLBRIPK1SMN1; SMN2
SCHEMBL1913774 0.79 NPC1 (0.61) NPC1RAB9AGAAPOLBMAPK1

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-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 NPC1 93/4885RAB9A 696/4885GAA 506/4885

“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.