SCHEMBL4874085

SCHEMBL4874085

O=C(CCl)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)CCl)ccc1-2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.52
MAOA P21397 4/20 0.51
ALDH1A1 P00352 6/20 0.49
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MITF O75030 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
XBP1 P17861 1/20 0.49
NOD2 Q9HC29 1/20 0.49
PRMT1 Q99873 1/20 0.47
VCP P55072 1/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.45
GSTO1 P78417 2/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 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
SCHEMBL4876732 0.82 MAOA (0.57) MAOAALDH1A1MAPTPOLBKDM4E
SCHEMBL4874202 0.80 MAOA (0.51) MAOAALDH1A1MAPT
SCHEMBL31237670 0.76 CASP3 (0.72) CASP3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4294197 0.76 CASP3 (0.72) CASP3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9630631 0.76 CASP3 (0.72) CASP3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9081388 0.75 NPC1 (0.76) CASP3ALDH1A1HTTSMN1; SMN2MITF
SCHEMBL21409465 0.72 MITF (0.51) CASP3ALDH1A1HTTSMN1; SMN2MITF
SCHEMBL11802189 0.72 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2MITFNPC1
SCHEMBL4869345 0.72 CA12 (0.68) CASP3MAOASMN1; SMN2NPC1RAB9A
SCHEMBL24534239 0.72 CASP3 (0.62) CASP3ALDH1A1HTTSMN1; SMN2MITF

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 6 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
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 CASP3 265/4885MAOA 2786/4885ALDH1A1 381/4885
US-20080070963-A1 Compositions and methods for promoting neural regeneration GAP43, DCX, BDNF CASP3 283/4885MAOA 2786/4885ALDH1A1 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.