SCHEMBL2810440

SCHEMBL2810440

Nc1cc(Br)cc(S(=O)(=O)c2cc(N)cc(Br)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.42
MPO P05164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PIK3CA P42336 2/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
HTR2A P28223 1/20 0.36
CA12 O43570 2/20 0.35
CA4 P22748 2/20 0.35
CA14 Q9ULX7 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7192584 0.90 HTR6 (0.62) HTR6LMNATSHRMPOCYP3A4
SCHEMBL7191069 0.87 LMNA (0.71) HTR6LMNATSHRCA2CA1
SCHEMBL7190271 0.84 CA2 (0.58) HTR6LMNATSHRMPOCYP3A4
SCHEMBL30417125 0.82 G6PD (0.37) HTR6LMNATSHRCA2CA1
SCHEMBL17262651 0.82 ALDH1A1 (0.50) HTR6LMNATSHRCYP2C9CA2
SCHEMBL2874989 0.82 G6PD (0.37) HTR6LMNATSHRCA2CA1
SCHEMBL8772681 0.82 HTR6 (0.40) HTR6LMNATSHRMPOCYP3A4
SCHEMBL11657942 0.82 LMNA (0.56) HTR6LMNATSHRMPOCYP3A4
SCHEMBL7195439 0.80 HTR6 (0.40) HTR6LMNATSHRMPOCYP3A4
SCHEMBL12642786 0.74 GAA (0.41) HTR6KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
CN-101868444-A Acetylenic compound, salt thereof, condensate thereof, and composition thereof FUJIFILM CORP 2010-10-20 CN disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
US-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B HTR6 4067/4885LMNA 1650/4885TSHR 3644/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 HTR6 4330/4885LMNA 413/4885TSHR 4692/4885

“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.