SCHEMBL6726449

SCHEMBL6726449

CN(C)c1ccc(Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CCR5 P51681 1/20 0.44
PYCR1 P32322 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
PTGS2 P35354 5/20 0.37
PTGS1 P23219 3/20 0.37
FSCN1 Q16658 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17884680 0.82 ALDH1A1 (0.48) ALDH1A1CCR5PYCR1MAPK1POLB
SCHEMBL12483803 0.79 KMT2A (0.42) ALDH1A1KMT2AGAAPTGS2PTGS1
SCHEMBL1336385 0.77 ALDH1A1 (0.37) ALDH1A1CCR5PYCR1MAPK1KMT2A
SCHEMBL21177435 0.77 CCR5 (0.49) ALDH1A1CCR5PYCR1MAPK1KMT2A
SCHEMBL415375 0.77 ALDH1A1 (0.38) ALDH1A1CCR5PYCR1MAPK1POLB
SCHEMBL14758469 0.77 LMNA (0.40) ALDH1A1CCR5PYCR1POLBKMT2A
SCHEMBL9566865 0.76 ALOX15 (0.42) ALDH1A1CCR5PYCR1MAPK1POLB
SCHEMBL2616324 0.76 GAA (0.59) PYCR1MAPK1POLBKMT2AGAA
SCHEMBL14808309 0.74 HRH4 (0.41) ALDH1A1CCR5PYCR1MAPK1POLB
SCHEMBL3789309 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2AGAAPTGS2

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-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2004-08-12 US disclosed
US-6677488-B2 AS AN EXAMPLE, 4-(4,5-DIFLUORO-2-(3-CHLORO-4-FLUOROPHENYL) PHENYLBENZENESULFONAMIDE; ANTIARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; PROSTAGLANDIN INHIBITORS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2004-01-13 US disclosed
US-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-11-14 US disclosed
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP disclosed
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 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 (2 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-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 ALDH1A1 241/4885CCR5 618/4885PYCR1 1077/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 ALDH1A1 241/4885CCR5 618/4885PYCR1 1077/4885

“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.