SCHEMBL212550

SCHEMBL212550

COC(=O)C(C#N)=C(SC)SC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
XBP1 P17861 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5433984 0.85 HDAC3 (0.39) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL3696389 0.85 HDAC3 (0.39) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL24846023 0.81 IDO1 (0.38) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL11009383 0.79 IDO1 (0.37) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL14012905 0.79 IDO1 (0.37) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL11009384 0.79 IDO1 (0.37) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL77082 0.78 ALDH1A1 (0.50) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL16097771 0.78 HDAC3 (0.38) ALDH1A1IDO1TP53TSHRL3MBTL1
SCHEMBL921425 0.78 ALDH1A1 (0.42) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL8295700 0.76 IDO1 (0.36) ALDH1A1MAPTXBP1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1290676-A None JP disclosed
US-12612390-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
EP-4421072-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2024-08-28 EP disclosed
US-20240116905-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2024-04-11 US disclosed
EP-3781561-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2024-03-13 EP disclosed
US-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2023-01-05 US disclosed
US-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2023-01-05 US disclosed
EP-4031527-A1 HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ModernaTX, Inc. (US) 2022-07-27 EP disclosed
US-11274095-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2022-03-15 US disclosed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 US disclosed
US-4877795-A 4H-quinolizin-4-one compounds useful for the treatment of allergic bronchial asthma, allergic rhinitis atropic dermatitis and the like KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-10-31 US disclosed
EP-0309260-A1 4H-Quinolizin-4-one compounds exhibiting therapeutic activities Kissei Pharmaceutical Co., Ltd. (JP) 1989-03-29 EP disclosed
US-4786638-A TREATMENT OR PREVENTION OF DIABETIC COMPLICATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-11-22 US disclosed
EP-0277755-A1 4H-quinolizin-4-one compounds exhibiting therapeutic activities Kissei Pharmaceutical Co. Ltd. (JP) 1988-08-10 EP disclosed
US-4542140-A ANTIULCER, ANTISECRETORY, GASTROINTESTINAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1985-09-17 US disclosed
US-4221737-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1980-09-09 US disclosed
US-4200760-A ANTIULCER, H2-RECEPTOR BLOCKING AGENTS BRISTOL-MYERS COMPANY (US) 1980-04-29 US disclosed
US-4154599-A Alkylthioaminoacrylonitriles and use as herbicides GULF OIL CORPORATION (US) 1979-05-15 US disclosed
US-4098598-A PLANT GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1978-07-04 US disclosed
US-4028089-A BENZOXAZOLINYLIDENE-MALONITRILE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1977-06-07 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 (5 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-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PEBP1, PLTP ALDH1A1 4749/4885MAPT 2749/4885XBP1 417/4885
US-20240116905-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 ALDH1A1 230/4885MAPT 2604/4885XBP1 3754/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ALDH1A1 2145/4885MAPT 1039/4885XBP1 2936/4885
US-11274095-B2 Modulators of methyl modifying enzymes, compositions and uses thereof TPMT, TET1, DNMT1 ALDH1A1 230/4885MAPT 2604/4885XBP1 3754/4885
US-12612390-B2 Modulators of methyl modifying enzymes, compositions and uses thereof NSD1, DOT1L, EHMT2 ALDH1A1 2327/4885MAPT 1517/4885XBP1 2942/4885

“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.