SCHEMBL4491153

SCHEMBL4491153

[C-]#[N+]CCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
DNM1 Q05193 7/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 1/20 0.38
EPHX1 P07099 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
SCHEMBL31171921 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6033481 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL1459603 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6245300 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6241582 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL31171990 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
Carbon Monoxide SCHEMBL3038936 0.86 TSHR (0.35) TSHRTHRBLMNA
SCHEMBL31009030 0.85 FAAH (0.52) LMNAMEN1KMT2AHSD17B10
SCHEMBL5865687 0.83
SCHEMBL29957532 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024234088-A1 SYSTEMS AND METHODS FOR AI-BASED IONIZABLE LIPID DEVELOPMENT FOR LIPID NANOPARTICLE (LNP)-BASED CARGO MOLECULE DELIVERY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-11-21 WO disclosed
CN-115429816-A Cisplatin-bonded prodrug and preparation method and application thereof 烟台大学 2022-12-06 CN disclosed
CN-114621417-A Optically active spiral polyfluorene block polyisonitrile copolymer and preparation method and application thereof 合肥工业大学 2022-06-14 CN disclosed
US-7592351-B2 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GRUENENTHAL GMBH (DE) 2009-09-22 US disclosed
US-20070099896-A1 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GRUENENTHAL GMBH (DE) 2007-05-03 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-20070099896-A1 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GIPR, CHUK, ITPA TSHR 1545/4885THRB 3826/4885DNM1 617/4885

“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.