SCHEMBL16742007

SCHEMBL16742007

CC(O)=C(C#N)C(=O)Nc1ccc(-c2c(Cl)cccc2Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 1.00
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
BLM P54132 1/20 0.49
BTK Q06187 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PLK3 Q9H4B4 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
SCHEMBL16742006 1.00 DHODH (1.00) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL16742075 0.87 DHODH (1.00) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL16742077 0.87 DHODH (1.00) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914883 0.82 DHODH (0.75) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914886 0.82 DHODH (0.75) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914909 0.82 DHODH (0.71) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL5914908 0.82 DHODH (0.71) DHODHMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL16741986 0.74 DHODH (1.00) DHODH
SCHEMBL16741987 0.74 DHODH (1.00) DHODH
SCHEMBL5914881 0.74 DHODH (0.64) DHODHMEN1ALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 WO 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-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885MEN1 4519/4885ALDH1A1 162/4885

“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.