SCHEMBL4865586

SCHEMBL4865586

CCC(=Nc1ccc2c(c1)S(=O)(=O)c1cc(N=C(CC)N(C)C)ccc1-2)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
CHEK1 O14757 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL10469338 0.69 NOS3 (0.35) KMT2A
SCHEMBL4870613 0.69 NOS3 (0.35) ALDH1A1KDM4EKMT2A
SCHEMBL10341922 0.68 ATM (0.41) ALDH1A1KDM4EKMT2A
SCHEMBL11534822 0.64 TERT (0.35) MAOAALDH1A1KMT2A
SCHEMBL10513467 0.63 BCKDK (0.34)
SCHEMBL10341772 0.63 KMT2A (0.40) ALDH1A1KDM4EKMT2A
SCHEMBL11723121 0.62 HRH4 (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL11723138 0.62 HRH4 (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL27431138 0.61 NOS3 (0.59) ALDH1A1KMT2A
SCHEMBL11658932 0.59 NOS3 (0.45) ALDH1A1KDM4E

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-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

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 2786/4885CHEK1 4447/4885ALDH1A1 381/4885
US-20080070963-A1 Compositions and methods for promoting neural regeneration GAP43, DCX, BDNF MAOA 2786/4885CHEK1 4341/4885ALDH1A1 398/4885

“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.