SCHEMBL12412975

SCHEMBL12412975

Cc1ccc(-n2c3c4ccc(C)cc4sc3c3sc4cc5c(cc4c32)sc2c3sc4cc(C)ccc4c3n(-c3ccc(C)cc3)c52)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KAT2B Q92831 1/20 0.33
RPA1 P27694 2/20 0.33
POLB P06746 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL12412954 0.94 SMN1; SMN2 (0.36) SMN1; SMN2BCL2L1MCL1NPC1RAB9A
SCHEMBL12503793 0.91 ESR1 (0.36) SMN1; SMN2BCL2L1MCL1NPC1RAB9A
SCHEMBL12412886 0.91 SMN1; SMN2 (0.34) SMN1; SMN2BCL2L1MCL1NPC1RAB9A
SCHEMBL12412829 0.89 SMN1; SMN2 (0.34) SMN1; SMN2BCL2L1MCL1NPC1RAB9A
SCHEMBL12412892 0.89 SMN1; SMN2 (0.32) SMN1; SMN2BCL2L1MCL1GAAALDH1A1
SCHEMBL12413125 0.88 KAT2B (0.48) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL12413044 0.87 SMN1; SMN2 (0.31) SMN1; SMN2HTT
SCHEMBL12413031 0.87 SMN1; SMN2 (0.33) SMN1; SMN2BCL2L1MCL1NPC1RAB9A
SCHEMBL12412937 0.86 SMN1; SMN2 (0.35) SMN1; SMN2BCL2L1MCL1NPC1RAB9A
SCHEMBL12504737 0.85 ESR1 (0.36) SMN1; SMN2BCL2L1MCL1NPC1RAB9A

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
US-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 SMN1; SMN2 2484/4885BCL2L1 2064/4885MCL1 4068/4885

“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.