SCHEMBL4864881

SCHEMBL4864881

CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1C2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 11/20 0.60
▸ CYP1A2 P05177 2/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2962505 0.79 MAOA (0.84) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL14066166 0.75 DHODH (0.55) NPC1RAB9ANPSR1
SCHEMBL18122080 0.75 MAOA (0.54) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL28178463 0.72 CYP1A2 (0.88) MAOACYP1A2ADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL75140 0.72 CYP1A2 (1.00) MAOACYP1A2ADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL29364009 0.72 CYP1A2 (1.00) MAOACYP1A2ADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL21114365 0.72 CYP1A2 (1.00) MAOACYP1A2ADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL29829339 0.72 CYP1A2 (1.00) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL4380156 0.71 MAOA (0.70) MAOACYP1A2ADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL6903872 0.71 CYP1A2 (0.97) MAOACYP1A2ADRA2ASLC6A2HTR2C

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
EP-0342433-A2 Substituted dibenzothiaphenes AMERICAN CYANAMID COMPANY (US) 1989-11-23 — — EP claimed
US-20080070963-A1 Compositions and methods for promoting neural regeneration Neuberger, Timothy 2008-03-20 — — US disclosed
US-7271187-B2 Compositions and methods for promoting tissue regeneration Neuberger, Tim (US) 2007-09-18 — — US disclosed
US-20020055530-A1 Compositions and methods for promoting tissue regeneration URI HERZBERG 2002-05-09 — — US disclosed
WO-2001076592-A1 COMPOSITIONS AND METHODS FOR PROMOTING NEURAL REGENERATION ACORDA THERAPEUTICS, INC. (US) 2001-10-18 — — WO disclosed
US-4965284-A IMMUNOMODULATORS AMERICAN CYANAMID COMPANY (US) 1990-10-23 — — US disclosed
EP-0342433-A2 Substituted dibenzothiaphenes AMERICAN CYANAMID COMPANY (US) 1989-11-23 — — 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-20020055530-A1 Compositions and methods for promoting tissue regeneration TST, DCX, GAP43 MAOA 2786/4885CYP1A2 3169/4885ADRA2A 4844/4885
US-20080070963-A1 Compositions and methods for promoting neural regeneration GAP43, DCX, BDNF MAOA 2786/4885CYP1A2 3970/4885ADRA2A 4854/4885

“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.

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