SCHEMBL839602

SCHEMBL839602

COC(=O)c1c(C(F)(F)F)cc(-c2ccc(C)c(F)c2)nc1NCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A3 Q01959 1/20 0.42
VCP P55072 10/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KDR P35968 1/20 0.38
CNR2 P34972 1/20 0.37
CRHR1 P34998 1/20 0.36
ABL1 P00519 1/20 0.36
SYK P43405 1/20 0.36
KMO O15229 1/20 0.35

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 SCHEMBL831469 0.99 ALDH1A1 (0.42) ALDH1A1L3MBTL1SLC6A3VCPKDM4E
SCHEMBL839778 0.90 VCP (0.43) ALDH1A1L3MBTL1VCPKDM4EHPGD
Hydrochloric Acid SCHEMBL832239 0.90 VCP (0.42) ALDH1A1L3MBTL1VCPKDM4EHPGD
SCHEMBL832622 0.84 SLC6A3 (0.43) ALDH1A1L3MBTL1SLC6A3KDM4EHPGD
SCHEMBL832007 0.83 ALDH1A1 (0.42) ALDH1A1L3MBTL1SLC6A3CNR2SYK
SCHEMBL832782 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1SLC6A3KDM4EHPGD
SCHEMBL830911 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1SLC6A3KDM4EHPGD
SCHEMBL832238 0.78 VCP (0.52) ALDH1A1L3MBTL1VCPKDM4EHPGD
SCHEMBL830427 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1SLC6A3KDM4EHPGD
SCHEMBL8076129 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDLMNA

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 ALDH1A1 1238/4885L3MBTL1 823/4885SLC6A3 264/4885

“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.