SCHEMBL4798985

SCHEMBL4798985

CC(=O)c1nn(CI)c(-c2ccc(C)c(C)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
MCL1 Q07820 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL1482957 0.82 MAP3K14 (0.42) MAP3K14MCL1LMNAHTTSMN1; SMN2
SCHEMBL23399617 0.64 ALDH1A1 (0.41) SMN1; SMN2KMT2AMEN1POLBALDH1A1
SCHEMBL277404 0.64 GRM5 (0.49) MAP3K14
SCHEMBL23402918 0.63 CNR1 (0.49) KMT2AMEN1MAPTALDH1A1
SCHEMBL1483362 0.62 ADORA2A (0.34) SMN1; SMN2POLBMAPT
SCHEMBL1483029 0.61 CNR1 (0.48) KMT2AMAPTNOTUM
SCHEMBL10304773 0.60 HSD17B1 (0.57) MCL1LMNAHTTSMN1; SMN2NPC1
SCHEMBL1483434 0.60 MCL1 (0.40) MCL1LMNASMN1; SMN2NPSR1NPC1
SCHEMBL23403136 0.60 ALDH1A1 (0.50) NPSR1KMT2AMEN1POLBCA1
SCHEMBL22844156 0.60 AURKA (0.41) LMNAHTTSMN1; SMN2RAB9AKMT2A

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-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 MAP3K14 1560/4885MCL1 2895/4885LMNA 4738/4885

“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.