SCHEMBL356028

SCHEMBL356028

Cc1c(-c2ccccc2)cc(F)c(Nc2ncccc2C(=O)O)c1F.Cc1c(-c2ccccc2)cc(F)c(Nc2ncccc2C(=O)O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 1.00
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
CLCN2 P51788 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL354131 1.00 DHODH (1.00) DHODHLMNAGAACLCN2MEN1
Water SCHEMBL356057 0.99 DHODH (0.98) DHODHLMNAGAACLCN2MEN1
Tromethamine SCHEMBL16741990 0.92 DHODH (0.85) DHODHLMNAGAAMEN1KMT2A
SCHEMBL729556 0.88 DHODH (0.81) DHODHLMNAGAAMEN1NPC1
SCHEMBL728038 0.87 DHODH (1.00) DHODHLMNAGAACLCN2MEN1
SCHEMBL729595 0.85 DHODH (1.00) DHODHLMNAGAA
SCHEMBL3725645 0.84 DHODH (0.72) DHODHLMNAGAACLCN2MEN1
SCHEMBL729195 0.81 DHODH (0.78) DHODHMEN1NPC1MAPTRAB9A
SCHEMBL729207 0.81 DHODH (1.00) DHODHLMNAGAACLCN2MEN1
SCHEMBL12082596 0.77 LMNA (0.78) DHODHLMNAGAACLCN2MEN1

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-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
EP-2406225-A1 ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall S.A. (ES) 2012-01-18 EP 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 1/4885LMNA 3480/4885GAA 881/4885

“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.