SCHEMBL4874176

SCHEMBL4874176

CC(=O)Nc1ccc2c(c1)sc1cc(F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.51
PDPK1 O15530 1/20 0.51
LDHA P00338 2/20 0.49
PSMB8 P28062 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
HDAC1 Q13547 3/20 0.46
G6PD P11413 1/20 0.46
TLR9 Q9NR96 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CA2 P00918 1/20 0.46
GAA P10253 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
BCKDK O14874 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL12278579 0.90 LDHA (0.57) LDHAPSMB8KMT2AMEN1POLB
SCHEMBL28124654 0.83 KDM4E (0.55) LDHAPSMB8KMT2AMEN1G6PD
SCHEMBL4869324 0.76 KDM4E (0.54) LDHAPSMB8KMT2AMEN1G6PD
SCHEMBL2615418 0.73 KMT2A (0.81) KMT2AMEN1POLBSMN1; SMN2CA2
SCHEMBL1753885 0.73 KMT2A (0.81) KMT2AMEN1POLBSMN1; SMN2CA2
SCHEMBL5106815 0.73 MAPT (0.65) KMT2AMEN1POLBG6PDSMN1; SMN2
Hydrochloric Acid SCHEMBL30443411 0.72 KMT2A (0.78) KMT2AMEN1POLBSMN1; SMN2CA2
SCHEMBL12207363 0.71 SULT1A1 (0.75) DYRK1APDPK1LDHAKMT2AMEN1
SCHEMBL5214776 0.71 HTT (0.45) DYRK1APDPK1KMT2AMEN1POLB
SCHEMBL687148 0.71 GAA (0.68) KMT2AMEN1POLBSMN1; SMN2GAA

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 DYRK1A 1044/4885PDPK1 2279/4885LDHA 3609/4885
US-20080070963-A1 Compositions and methods for promoting neural regeneration GAP43, DCX, BDNF DYRK1A 908/4885PDPK1 2330/4885LDHA 3830/4885

“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.