SCHEMBL9944824

SCHEMBL9944824

CCNC(=O)c1cc(N)c(N)cc1N1CCC(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
LGMN Q99538 2/20 0.39
NPY2R P49146 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CA4 P22748 4/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NR4A1 P22736 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHIA Q9BZP6 1/20 0.36
PTGES O14684 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL9944821 0.89 ALOX15 (0.39) CA2LGMNNPY2RALOX15KDM4E
SCHEMBL9944823 0.86 MAPT (0.47) ALDH1A1MAPTPOLBMEN1HTT
SCHEMBL9946611 0.85 PTGES (0.45) LGMNALDH1A1PTGESJAK2JAK3
SCHEMBL9944847 0.79 ALDH1A1 (0.43) ALOX15KDM4EALDH1A1NPC1MAPT
SCHEMBL9944739 0.79 RAB9A (0.45) KDM4EALDH1A1NPC1MAPTHPGD
SCHEMBL9946780 0.77 PTGES (0.44) LGMNKDM4EALDH1A1NPC1MAPT
SCHEMBL9944992 0.76 PTGES (0.40) LGMNKDM4EALDH1A1NPC1MAPT
SCHEMBL9944820 0.76 ALDH1A1 (0.39) ALDH1A1MAPTHPGDPOLBGAA
SCHEMBL9944750 0.76 PTGES (0.37) LGMNNPY2RALOX15KDM4EALDH1A1
SCHEMBL9946857 0.75 PTGES (0.39) LGMNPTGES

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES CA2 2940/4885LGMN 1279/4885NPY2R 1469/4885

“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.