SCHEMBL4680287

SCHEMBL4680287

[CH2]C1=Nc2ccccc2C1=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 2/20 0.31
APAF1 O14727 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TSHR P16473 1/20 0.31
HK1 P19367 1/20 0.31
GALK1 P51570 1/20 0.31

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
SCHEMBL10689272 0.71 IDO1 (0.34) IDO1MAPTKDM4EHTTRECQL
SCHEMBL6651141 0.67 MAPT (0.38) IDO1MAPTKDM4EHTTRECQL
SCHEMBL1772873 0.65 CYP1A2 (0.60) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1772613 0.64 HRH4 (0.50) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1773392 0.64 DRD2 (0.47) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4515365 0.64 IDO1 (0.54) IDO1MAPTKDM4EHTTRECQL
SCHEMBL2583571 0.61 CYP2A6 (0.43) IDO1MAPTKDM4EHTTRECQL
SCHEMBL1772602 0.61 TTR (0.40) MAPTKDM4EHTTMEN1KMT2A
SCHEMBL30565769 0.60
SCHEMBL20708485 0.60

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626043-B1 Heterocyclic thioesters MGI GP INC (US) 2007-12-12 EP claimed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
EP-1626043-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2006-02-15 EP claimed
EP-0934263-B8 NON-IMMUNOSUPPRESSANT FKBP ROTAMASE INHIBITORS MGI GP INC (US) 2006-01-18 EP claimed
US-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2005-03-17 US claimed
EP-0934263-A4 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARM INC (US) 2002-11-06 EP claimed
JP-2002516844-A 2002-06-11 JP claimed
US-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2002-02-07 US claimed
US-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US claimed
EP-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP claimed
JP-2001506231-A 2001-05-15 JP claimed
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP claimed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO claimed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO claimed
EP-0934263-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1999-08-11 EP claimed
WO-1998013343-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
EP-1900726-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2008-03-19 EP disclosed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO disclosed
WO-1998013343-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO 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-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 IDO1 1310/4885MAPT 1331/4885KDM4E 485/4885
US-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 IDO1 1310/4885MAPT 1331/4885KDM4E 485/4885

“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.