SCHEMBL2986992

SCHEMBL2986992

CC(C)CCNC(=O)c1csc(C(N)=O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.54
CNR1 P21554 1/20 0.43
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADORA2A P29274 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 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
SCHEMBL2986998 0.83 PANK3 (0.56) PANK3CNR1MAPK1HIF1ASMN1; SMN2
SCHEMBL2996971 0.81 USP2 (0.46) MAPK1HIF1ASMN1; SMN2NPC1RAB9A
SCHEMBL3004442 0.80 ALOX15 (0.48) MAPK1HIF1ASMN1; SMN2NPC1RAB9A
SCHEMBL3095218 0.77 ADORA2A (0.39) CNR1HIF1AALDH1A1ADORA2AHDAC3
SCHEMBL2990831 0.76 NR1I2 (0.52) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL9331208 0.72 HDAC3 (0.46) PANK3CNR1HIF1AALDH1A1HDAC3
SCHEMBL2745784 0.71 HTR2B (0.49) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL27284577 0.71 CNR1 (0.47) PANK3CNR1MAPK1SMN1; SMN2NPC1
SCHEMBL28878477 0.71 HTR2B (0.42) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL4683786 0.70 KDM1A (0.46) NPC1RAB9AALDH1A1KMT2AMEN1

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PANK3 423/4885CNR1 3515/4885MAPK1 33/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PANK3 423/4885CNR1 3515/4885MAPK1 33/4885

“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.