SCHEMBL4694745

SCHEMBL4694745

CC(=O)c1ccc2c(c1)CCCS2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HSD17B1 P14061 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
NOX1 Q9Y5S8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.39
CYBB P04839 1/20 0.39
APP P05067 1/20 0.39
GAA P10253 1/20 0.39
SNCA P37840 1/20 0.39
NOX3 Q9HBY0 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9141540 0.95 MAPT (0.46) MAPTNPC1RAB9AHSD17B1ALDH1A1
SCHEMBL1865789 0.90 MAPT (0.50) MAPTNPC1RAB9AHSD17B1ALDH1A1
SCHEMBL7765239 0.85 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL24124204 0.83 ALDH1A1 (0.40) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL28747049 0.83 ALDH1A1 (0.40) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL10693463 0.83 ATM (0.42) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL9141376 0.82 MAPT (0.46) MAPTNPC1RAB9AHSD17B1ALDH1A1
SCHEMBL9141316 0.81 MAPT (0.43) MAPTNPC1RAB9AHSD17B1ALDH1A1
SCHEMBL10692438 0.80 ALDH1A1 (0.39) MAPTRAB9AALDH1A1HPGDMEN1
SCHEMBL10691604 0.80 HPGD (0.44) MAPTNPC1RAB9AALDH1A1HPGD

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 WO disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
EP-1906964-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
JP-2001163853-A SULFIDE COMPOUND AND METHOD FOR PRODUCING 6- ACETYLTHIOCHROMAN DERIVATIVE OR 5- ACETYLDIHYDROBENZO[B]THIOPHENE DERIVATIVE IDEMITSU KOSAN CO LTD 2001-06-19 JP disclosed
WO-2001040176-A1 SULFIDE COMPOUND AND PROCESSES FOR PRODUCING THIOCHROMAN DERIVATIVE AND DIHYDROBENZ[B]THIOPHENE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2001-06-07 WO disclosed
US-5717094-A 6-THIOCHROMANYL-ETHYNE, 6-CHROMANYL ETHYNE AND 6-TETRAHYDROQUINOLINYL ETHYNE OR THEIR METAL SALTS ARE REACTED WITH SUITABLE HALO SUBSTITUTED PHENYL OR HETEROARYL COMPUNDS ALLERGAN (US) 1998-02-10 US disclosed
US-5248777-A Inhibitors of ornithine decarboxylase ALLERGAN, INC. (US) 1993-09-28 US disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
US-4791104-A HYPOTENSIVE, ANTILIPEMIC, ANTIHROMBOTIC, ANTIHYPOXIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1988-12-13 US disclosed
WO-1987002359-A1 DIHYDROBENZOTHIOPHENE AND THIOCHROMANE AMINOALCOHOLS MAGGIONI-WINTHROP S.P.A. (IT) 1987-04-23 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 (1 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-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 MAPT 2812/4885NPC1 2228/4885RAB9A 2317/4885

“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.