SCHEMBL839680

SCHEMBL839680

CCN(CC)c1nc(-c2cc(F)cc(F)c2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXRA P19793 1/20 0.34
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
DHODH Q02127 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MDM2 Q00987 1/20 0.32
KMO O15229 1/20 0.32

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
Hydrochloric Acid SCHEMBL830836 0.99 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL832031 0.87 ALDH1A1 (0.47) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL831457 0.85 ALDH1A1 (0.46) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL830844 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL3747590 0.77 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL830047 0.74 ALDH1A1 (0.47) KDM4EALDH1A1HPGDL3MBTL1TSHR
SCHEMBL833331 0.72 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL830819 0.71 ALDH1A1 (0.40) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL3752012 0.70 ALDH1A1 (0.43) ALDH1A1L3MBTL1DHODHKMO
SCHEMBL3754265 0.68 ALDH1A1 (0.42) KDM4EALDH1A1HPGDL3MBTL1LMNA

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 5 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-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
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT KDM4E 3571/4885ALDH1A1 1238/4885HPGD 1605/4885

“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.