SCHEMBL1439617

SCHEMBL1439617

COC(=O)CCCC(C)N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
SLC1A1 P43005 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42

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
Iodide SCHEMBL7600562 0.98 TSHR (0.56) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL3958573 0.98 TSHR (0.56) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3545285 0.94 TSHR (0.56) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL21467667 0.92 TSHR (0.54) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL1232427 0.92 TSHR (0.54) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL24804137 0.86
SCHEMBL18116498 0.86
SCHEMBL205336 0.86
Hydrochloric Acid SCHEMBL247260 0.84 GABRP (0.54) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL1354938 0.84 GABRP (0.48) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496224-B 4-Quinazolinone hydroxamic acid derivative, pharmaceutical composition and application thereof 武汉思瓴生物科技有限公司 2024-11-01 CN disclosed
CN-116496224-A 4-quinazolinone hydroxamic acid derivative, pharmaceutical composition and application thereof 武汉思瓴生物科技有限公司 2023-07-28 CN disclosed
CN-106349156-A Pyridine-2-amides capable of being used as CB2 agonist 霍夫曼-拉罗奇有限公司 2017-01-25 CN disclosed
CN-103608332-B Pyridine-2-amides useful as CB2 agonists 霍夫曼-拉罗奇有限公司 2016-09-28 CN disclosed
US-8263044-B2 Stilbene like compounds as novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2012-09-11 US disclosed
WO-2007054776-A9 STILBENE LIKE COMPOUNDS AS NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-03-03 WO disclosed
US-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-28 US disclosed
WO-2007054776-A2 STILBENE LIKE COMPOUNDS AS NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-05-18 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-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors HDAC1, HDAC5, HDAC11 TSHR 3925/4885GABRP 4187/4885GABRD 4712/4885

“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.