SCHEMBL696954

SCHEMBL696954

[c]1ccsc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RPS6KB2 Q9UBS0 1/20 0.38
HSD17B10 Q99714 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
LTA4H P09960 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4732974 0.86 DPP4 (0.47) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL7449560 0.86 DPP4 (0.47) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL9692156 0.73 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL2779806 0.71 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL3545 0.71 L3MBTL1 (0.57) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL16291133 0.71 L3MBTL1 (0.57) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL2782543 0.70 CYP2E1 (0.39) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL177819 0.70
SCHEMBL17468570 0.70 LTA4H (0.40) KDM4EALDH1A1HPGDMEN1MAPT
Fluoride SCHEMBL491501 0.68 L3MBTL1 (0.55) KDM4EALDH1A1HPGDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106938985-A A kind of 5 amide groups quinolines of alkenyl 8 and its one-pot preparation thereof 湖南大学 2017-07-11 CN claimed
EP-2336131-A1 Hydantoin compounds Eisai R&D Management Co., Ltd. (JP) 2011-06-22 EP claimed
US-20100113446-A1 HYDANTOIN COMPOUNDS GALLAGHER JR BRIAN M 2010-05-06 US claimed
US-7666875-B2 1,3,8-triazaspiro(4,5)decane derivatives; antiinflammatory agent for treating rheumatoid arthritis, allergic, multiple sclerosis, autoimmune disease such as inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US claimed
CN-101263141-A Hydantoin compounds EISAI R&D MAN CO LTD (JP) 2008-09-10 CN claimed
EP-1888583-A2 HYDANTOIN COMPOUNDS Eisai Co., Ltd. (JP) 2008-02-20 EP claimed
WO-2006128143-A2 HYDANTOIN COMPOUNDS EISAI CO., LTD. (JP) 2006-11-30 WO claimed
US-20060270696-A1 Hydantoin compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-11-30 US claimed
US-5861400-A TREATING RESISTANCE TO AN ANTHRACYLCINE ANTIBIOTIC WITH ADIKETOPIPERAZINE COMPOUND XENOVA LIMITED (GB) 1999-01-19 US claimed
EP-0100527-B1 4H-1,4-BENZOTHIAZINES FOR USE AS MEDICAMENTS BAYER AG (DE) 1987-01-07 EP claimed
CN-115010716-B Polysubstituted pyridine derivative and preparation method thereof 云南大学 2024-02-27 CN disclosed
CN-117327029-A Azole derivative and preparation method thereof 云南大学 2024-01-02 CN disclosed
CN-113861181-B Polysubstituted isothiazole derivative and preparation method thereof 云南大学 2023-09-12 CN disclosed
CN-114751864-B Polysubstituted imidazole derivative and preparation method thereof 云南大学 2023-06-23 CN disclosed
CN-116284027-A Polysubstituted pentacyclic spiro indoline derivative and preparation method thereof 云南大学 2023-06-23 CN disclosed
WO-1990008145-A1 ANTI-INFLAMMATORY 1-HETEROARYL-3-ACYL-2-OXINDOLES PFIZER INC. (US) 1990-07-26 WO disclosed
WO-1989005581-A1 ANTIFUNGAL CARBINOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-29 WO disclosed
US-4716160-A Certain 7-amino-pyrazolo[4,3-b]pyridines useful in treating inflammatory and allergic disorders BEECHAM GROUP P.L.C. (GB) 1987-12-29 US disclosed
EP-0207593-A1 Pyrazolopyridine derivatives BEECHAM GROUP PLC (GB) 1987-01-07 EP disclosed
US-4099001-A [[[Imidazolidinyl amino]carbonyl]amino]acetyl cephalosporin derivatives E. R. SQUIBB & SONS, INC. (US) 1978-07-04 US 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-20060270696-A1 Hydantoin compounds HNMT, HLA-DRB1, SSB KDM4E 1585/4885ALDH1A1 496/4885HPGD 111/4885
US-20100113446-A1 HYDANTOIN COMPOUNDS HNMT, HLA-DRB1, SSB KDM4E 1585/4885ALDH1A1 496/4885HPGD 111/4885

“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.