SCHEMBL3024752

SCHEMBL3024752

Cc1ccc(-c2cccc(Cl)c2)n1-c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.43
CHRNA7 P36544 1/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 2/20 0.43
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3032641 0.87 MCOLN3 (0.46) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL3027933 0.86 L3MBTL1 (0.56) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL3030118 0.83 L3MBTL1 (0.49) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL3035936 0.80 PTGS2 (0.47) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3029307 0.79 PTGS2 (0.46) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3033914 0.75 KMT2A (0.47) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL31684032 0.72 ALDH1A1 (0.97) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL4555970 0.72 ALDH1A1 (0.97) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL15010078 0.70 ALDH1A1 (1.00) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL3024630 0.69 PTGS2 (0.57) ALDH1A1PKMMAPTCHRNA7HTT

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-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
CN-101479241-A Pyrrole derivatives and their methods of use ABBOTT LAB (US) 2009-07-08 CN disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS MEN1 2853/4885KMT2A 2578/4885ALDH1A1 745/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS MEN1 2853/4885KMT2A 2578/4885ALDH1A1 745/4885

“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.