SCHEMBL830226

SCHEMBL830226

CCC(C(=O)O)C(N)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2D6 P10635 2/20 0.49
KMT2A Q03164 2/20 0.49
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.44
ADRB2 P07550 1/20 0.42
POLB P06746 2/20 0.42
BRD4 O60885 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6539850 0.84 ESR1 (0.47) CYP2C9CYP2C19CYP2D6LMNACYP3A4
SCHEMBL8691399 0.84 ANPEP (0.51) MEN1KMT2ATSHRCYP1A2THRB
SCHEMBL27795303 0.84 CYP2C9 (0.44) CYP2C9CYP2C19MEN1CYP2D6KMT2A
SCHEMBL7426518 0.84 DPP4 (0.48) MEN1CYP2D6KMT2ALMNAPOLB
SCHEMBL2298439 0.84 DPP4 (0.48) MEN1CYP2D6KMT2ALMNAPOLB
SCHEMBL22262278 0.83 ALDH1A1 (0.48) CYP2C9CYP2C19MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL8538778 0.82 DPP4 (0.46) MEN1CYP2D6KMT2ALMNAPOLB
Hydrochloric Acid SCHEMBL6779507 0.81 TPMT (0.38) CYP2C9CYP2C19MEN1CYP2D6KMT2A
SCHEMBL6779107 0.77 TTR (0.43) CYP2C9CYP2C19MEN1KMT2ATSHR
SCHEMBL831692 0.77 ADRB2 (0.52) CYP2C9CYP2C19MEN1CYP2D6KMT2A

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-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 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-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT CYP2C9 1315/4885CYP2C19 1637/4885MEN1 3799/4885

“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.