SCHEMBL831552

SCHEMBL831552

O=C(O)c1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1NCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCP P55072 13/20 0.52
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CRHR1 P34998 1/20 0.42
FLT3 P36888 1/20 0.41
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MDM2 Q00987 1/20 0.40

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
SCHEMBL832238 0.89 VCP (0.52) VCPKDM4EALDH1A1HPGDLMNA
SCHEMBL839778 0.84 VCP (0.43) VCPKDM4EALDH1A1HPGDLMNA
SCHEMBL832140 0.84 POLB (0.43) VCPKDM4EALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL832239 0.83 VCP (0.42) VCPKDM4EALDH1A1HPGDLMNA
SCHEMBL831824 0.82 HPGD (0.48) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL830165 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL839602 0.74 ALDH1A1 (0.42) VCPKDM4EALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL831469 0.73 ALDH1A1 (0.42) VCPKDM4EALDH1A1HPGDLMNA
SCHEMBL8037053 0.73 KDM4E (0.52) VCPKDM4EALDH1A1HPGDTSHR
SCHEMBL831590 0.73 KDM4E (0.44) VCPKDM4EALDH1A1HPGDLMNA

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 7 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-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
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 VCP 710/4885KDM4E 3571/4885ALDH1A1 1238/4885

“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.