SCHEMBL250817

SCHEMBL250817

CC(O)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.72
MLKL Q8NB16 3/20 0.66
CYP1A2 P05177 1/20 0.62
ALDH1A1 P00352 2/20 0.61
POLB P06746 2/20 0.61
ALOX12 P18054 1/20 0.59
TAAR1 Q96RJ0 1/20 0.58
ALOX15 P16050 1/20 0.58
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2673705 1.00 IDO1 (0.72) IDO1MLKLCYP1A2ALDH1A1POLB
SCHEMBL2674618 1.00 IDO1 (0.72) IDO1MLKLCYP1A2ALDH1A1POLB
SCHEMBL29537224 1.00 IDO1 (0.72) IDO1MLKLCYP1A2ALDH1A1POLB
Hydrochloric Acid SCHEMBL29537578 0.98 IDO1 (0.70) IDO1MLKLCYP1A2ALDH1A1POLB
Hydrochloric Acid SCHEMBL28705652 0.98 IDO1 (0.70) IDO1MLKLCYP1A2ALDH1A1POLB
SCHEMBL15221577 0.85 IDO1 (0.79) IDO1MLKLALDH1A1POLBALOX12
SCHEMBL7101160 0.85 IDO1 (0.79) IDO1MLKLALDH1A1POLBALOX12
SCHEMBL4921708 0.84 IDO1 (1.00) IDO1MLKLALDH1A1POLBALOX12
SCHEMBL7946544 0.84 IDO1 (0.78) IDO1MLKLALDH1A1POLBALOX12
SCHEMBL2147079 0.84 ALDH1A1 (0.66) IDO1MLKLALDH1A1POLBALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622945-A1 OLIGOMERISATION OF ALCOHOLS Terra Mater BV (BE) 2025-10-01 EP claimed
CN-118307479-A Method for preparing 2-acetyl benzimidazole by catalysis 韩素敏 2024-07-09 CN claimed
WO-2024110575-A1 OLIGOMERISATION OF ALCOHOLS Terra Mater BV (BE) 2024-05-30 WO claimed
CN-117844369-A Water-based organosilicon-based zinc-aluminum alloy coating and preparation process thereof 中国电力科学研究院有限公司 2024-04-09 CN claimed
CN-114272946-B Graphite-phase carbon nitride-loaded low-spin monatomic Fe heterogeneous catalyst, preparation method and catalysis method 北京化工大学 2023-03-31 CN claimed
CN-114574846-A Passivation sealing agent and passivation sealing treatment process 重庆工业职业技术学院 2022-06-03 CN claimed
CN-114272946-A Graphite-phase carbon nitride-loaded low-spin monatomic Fe heterogeneous catalyst, preparation method and catalysis method 北京化工大学 2022-04-05 CN claimed
CN-109593063-A A kind of preparation method of benzimidazolone 江苏诺恩作物科学股份有限公司 2019-04-09 CN claimed
US-9486892-B2 Polishing composition FUJIMI INCORPORATED (JP) 2016-11-08 US claimed
EP-2970328-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP claimed
WO-2014140086-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO claimed
EP-4622945-A1 OLIGOMERISATION OF ALCOHOLS Terra Mater BV (BE) 2025-10-01 EP disclosed
US-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 US disclosed
CN-118308790-A Adjustable double A-site hybrid ferroelectric perovskite single crystal photovoltaic device and preparation method and application thereof 暨南大学 2024-07-09 CN disclosed
CN-118307479-A Method for preparing 2-acetyl benzimidazole by catalysis 韩素敏 2024-07-09 CN disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed
US-4119478-A COLORLESS COMPOUND CONTAINING ONE OR MORE BASIC NITROGEN ATOMS ATTACHED TO CARBON IN PYRIDINE OR BENZIMIDAZOLE RING AND HAVING ONE OR MORE UREA OR URETHANE GROUPS CIBA-GEIGY CORPORATION (US) 1978-10-10 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 (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-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, ACAD11, ACOX1 IDO1 522/4885MLKL 411/4885CYP1A2 688/4885

“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.