SCHEMBL2990440

SCHEMBL2990440

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 3/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 2/20 0.45
MAPKAPK2 P49137 1/20 0.42
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
AGTR1 P30556 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKT3 Q9Y243 1/20 0.41
CA2 P00918 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHEK2 O96017 1/20 0.40
ACKR3 P25106 1/20 0.40

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
SCHEMBL2996343 0.91 MAPK1 (0.55) KDM4EALDH1A1POLBMAPK1HPGD
SCHEMBL2990439 0.86 KDM4E (0.46) KDM4EALDH1A1ALOX15NPC1RAB9A
SCHEMBL1637154 0.82 KDM4E (0.50) KDM4EALOX15RAB9ANPSR1CA2
SCHEMBL12801181 0.80 POLB (0.43) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL2996339 0.77 MAPK1 (0.52) KDM4EALDH1A1POLBMAPK1HPGD
SCHEMBL12800947 0.77 HDAC4 (0.45) ALDH1A1HPGDSMN1; SMN2
SCHEMBL12124309 0.75 HDAC1 (0.51) KDM4EALDH1A1ALOX15NPC1RAB9A
SCHEMBL3004447 0.74 ALOX15 (0.50) KDM4EALDH1A1ALOX15NPC1RAB9A
SCHEMBL2993766 0.74 ALOX15 (0.56) KDM4EALDH1A1ALOX15NPC1RAB9A
SCHEMBL4219879 0.74 HDAC1 (0.50) KDM4EALDH1A1ALOX15HPGDMAPT

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.