SCHEMBL2990439

SCHEMBL2990439

CN(C)CCCNC(=O)c1cnc(C(N)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
CHUK O15111 1/20 0.41
INSR P06213 1/20 0.41
MAPK8 P45983 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
AKT3 Q9Y243 1/20 0.40
CA2 P00918 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 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
SCHEMBL2996339 0.92 MAPK1 (0.52) KDM4EALDH1A1POLBMAPK1HPGD
SCHEMBL2990440 0.86 KDM4E (0.47) KDM4EALDH1A1ALOX15NPC1RAB9A
SCHEMBL2996343 0.77 MAPK1 (0.55) KDM4EALDH1A1POLBMAPK1HPGD
SCHEMBL12124309 0.76 HDAC1 (0.51) KDM4EALDH1A1ALOX15NPC1RAB9A
SCHEMBL3004442 0.76 ALOX15 (0.48) KDM4EALDH1A1ALOX15NPC1RAB9A
SCHEMBL12124263 0.71 NPC1 (0.62) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL6785632 0.71 MAPK1 (0.58) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL9331107 0.71 ALDH1A1 (0.45) KDM4EALDH1A1CYP1A2L3MBTL1
SCHEMBL3004623 0.71 HPGD (0.68) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL11655154 0.70 ADRB2 (0.41) KDM4EALOX15CYP1A2HPGD

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 4 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 claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
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 KDM4E 2943/4885ALDH1A1 3894/4885ALOX15 3350/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 KDM4E 2943/4885ALDH1A1 3894/4885ALOX15 3350/4885

“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.