SCHEMBL3030118

SCHEMBL3030118

Cc1ccc(-c2ccc(Cl)cc2Cl)n1-c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.46
PTGER1 P34995 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CNR1 P21554 3/20 0.45
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
CNR2 P34972 2/20 0.44
CHRNA7 P36544 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3027933 0.85 L3MBTL1 (0.56) L3MBTL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL3024752 0.83 MEN1 (0.52) L3MBTL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL3024957 0.82 PTGER1 (0.62) PTGER1CHRNA7
SCHEMBL3013581 0.81 CA12 (0.49) PTGER1CHRNA7SMN1; SMN2
SCHEMBL3033914 0.78 KMT2A (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL3032641 0.74 MCOLN3 (0.46) ALDH1A1KMT2AMEN1MAPTUSP2
SCHEMBL5251337 0.72 L3MBTL1 (0.86) L3MBTL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL5249795 0.72 L3MBTL1 (0.86) L3MBTL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL2705461 0.71 L3MBTL1 (0.83) L3MBTL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL10445165 0.68 USP2 (0.77) ALDH1A1KMT2AMEN1LMNAMAPT

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 4 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
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 L3MBTL1 4423/4885ALDH1A1 745/4885KMT2A 2578/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS L3MBTL1 4423/4885ALDH1A1 745/4885KMT2A 2578/4885

“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.