SCHEMBL368305

SCHEMBL368305

Nc1ccnc(-c2ccc(-c3ccccc3)cc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.47
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 2/20 0.41
LMNA P02545 2/20 0.41
IKBKB O14920 1/20 0.40
MAP4K4 O95819 1/20 0.40
TSHR P16473 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL19138009 0.97 HTT (0.46) DHODHHTTHSD17B10PDE10ALMNA
SCHEMBL14917460 0.85 MEN1 (0.47) HTTHSD17B10IKBKBCDK5CDK5R1
SCHEMBL27779234 0.85 CDK5 (0.50) HTTHSD17B10LMNATSHRCDK5
SCHEMBL27332910 0.83 HTT (0.59) HTTHSD17B10CDK5CDK5R1
SCHEMBL9351900 0.80 PTGS1 (0.51) HTTHSD17B10LMNA
SCHEMBL28459405 0.77 KDM4E (0.50) DHODHPDE10ALMNATSHRNAPRT
SCHEMBL9047986 0.77 ADORA2A (0.48) MAP4K4
SCHEMBL8936345 0.77 KMO (0.54) HTTHSD17B10
SCHEMBL27843373 0.77 CDK5 (0.45) HTTHSD17B10LMNACDK5CDK5R1
SCHEMBL5532401 0.76 DHODH (0.49) DHODHPDE10ALMNATSHRNAPRT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120014918-A1 ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2012-01-19 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-20120014918-A1 ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DAO, ADH1B DHODH 1/4885HTT 1078/4885HSD17B10 230/4885

“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.