SCHEMBL2925643

SCHEMBL2925643

CS(=O)(=O)c1cc(Br)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 6/20 0.46
CCR2 P41597 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD11B1 P28845 2/20 0.42
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.38
FBP1 P09467 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL1581780 0.83 HSD11B1 (0.48) WDR5CCR2ALDH1A1HSD11B1MEN1
SCHEMBL29430629 0.83 HSD11B1 (0.48) WDR5CCR2ALDH1A1HSD11B1MEN1
SCHEMBL2244585 0.81 TRPV4 (0.40) WDR5ALDH1A1HSD11B1LMNAMEN1
SCHEMBL3112984 0.80 CCR2 (0.44) WDR5CCR2ALDH1A1LMNAGAA
SCHEMBL31261449 0.79 HSD11B1 (0.42) WDR5ALDH1A1HSD11B1LMNAMEN1
SCHEMBL2240806 0.79 CA2 (0.48) LMNAL3MBTL1
SCHEMBL11649738 0.79 HSD11B1 (0.42) WDR5ALDH1A1HSD11B1LMNAMEN1
SCHEMBL11354967 0.79 ALDH1A1 (0.57) ALDH1A1HSD11B1LMNAMEN1MAPT
SCHEMBL4589791 0.78 MCL1 (0.56) CCR2ALDH1A1LMNAMAPTHTT
SCHEMBL31239603 0.78 MCL1 (0.56) CCR2ALDH1A1LMNAMAPTHTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 WDR5 2831/4885CCR2 369/4885ALDH1A1 2318/4885

“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.