SCHEMBL4875730

SCHEMBL4875730

O=C(Cc1ccc2sc3ccccc3c2c1)Cc1ccc2sc3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
GPR3 P46089 1/20 0.48
MAPT P10636 4/20 0.46
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43

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
SCHEMBL2963097 0.80 GPR3 (0.54) CYP1A2GPR3MAPTPTPN7DUSP3
SCHEMBL31081432 0.80 GPR3 (0.54) CYP1A2GPR3MAPTPTPN7DUSP3
SCHEMBL7821341 0.79 CYP1A2 (0.62) CYP1A2GPR3MAPTPTPN7DUSP3
SCHEMBL19768707 0.78 GPR3 (0.56) CYP1A2GPR3MAPTPTPN7DUSP3
SCHEMBL11232390 0.78 AKR1B1 (0.53) CYP1A2GPR3MAPTALDH1A1HPGD
SCHEMBL31113417 0.78 AKR1B1 (0.56) CYP1A2MAPTALDH1A1HPGDRAB9A
SCHEMBL14299543 0.78 AKR1B1 (0.56) CYP1A2MAPTALDH1A1HPGDRAB9A
SCHEMBL18903328 0.77 GPR3 (0.50) CYP1A2GPR3MAPTPTPN7DUSP3
Methane SCHEMBL11248449 0.77 AKR1B1 (0.51) CYP1A2GPR3MAPTALDH1A1HPGD
SCHEMBL12075019 0.77 GPR3 (0.54) CYP1A2GPR3MAPTPTPN7DUSP3

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 CYP1A2 3169/4885GPR3 2745/4885MAPT 1089/4885
US-20080070963-A1 Compositions and methods for promoting neural regeneration GAP43, DCX, BDNF CYP1A2 3970/4885GPR3 2839/4885MAPT 685/4885

“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.