SCHEMBL839948

SCHEMBL839948

O=C(O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1NC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ULK1 O75385 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
TLR7 Q9NYK1 2/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MDM2 Q00987 1/20 0.34
AR P10275 1/20 0.34
MAP4K4 O95819 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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 SCHEMBL829899 0.99 KDM4E (0.39) KDM4EULK1ALDH1A1HPGDLMNA
SCHEMBL832016 0.88 ALDH1A1 (0.40) KDM4EULK1ALDH1A1HPGDLMNA
SCHEMBL839415 0.85 KMO (0.42) KDM4EALDH1A1HPGDLMNATSHR
Hydrochloric Acid SCHEMBL832585 0.84 KMO (0.41) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL831590 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL832140 0.80 POLB (0.43) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL830938 0.80 KDM4E (0.37) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL832622 0.75 SLC6A3 (0.43) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL3747590 0.74 ALDH1A1 (0.41) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL10466981 0.69 ULK1 (0.46) ULK1TSHRTLR7ARCYP1A2

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 3571/4885ULK1 2938/4885ALDH1A1 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.