SCHEMBL2118792

SCHEMBL2118792

N#CC(C#N)=Cc1ccc2c(c1)CCCN2CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.49
KMT2A Q03164 10/20 0.49
MAPT P10636 9/20 0.49
ALDH1A1 P00352 9/20 0.49
HTT P42858 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 5/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
EGFR P00533 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL14540997 0.82 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL30578410 0.82 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL11879042 0.81 APP (0.50) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL29100113 0.81 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL12047896 0.81 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6811319 0.77 HDAC1 (0.55) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL11583860 0.75 CHRM2 (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6808175 0.74 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL22975141 0.72 CHRM2 (0.38) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL21264259 0.72 CHRM2 (0.38) MEN1KMT2AMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118104652-A Effective and environment-friendly disinfectant 香港科技大学 2024-05-31 CN claimed
EP-3965738-B1 METHOD FOR PRODUCTION OF LIPOSOMES UNIV DO MINHO (PT) 2025-08-06 EP disclosed
US-20240196888-A1 EFFECTIVE AND ECO-FRIENDLY DISINFECTANT THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-06-20 US disclosed
CN-118104652-A Effective and environment-friendly disinfectant 香港科技大学 2024-05-31 CN disclosed
CN-106632461-A Preparation method of tetraphenyl resorcinol bis(diphenylphosphate) 衢州普信新材料有限公司 2017-05-10 CN disclosed
US-20120094867-A1 High-Throughput Molecular Rotor Viscometry Assay DANISCO US INC. (US) 2012-04-19 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-20240196888-A1 EFFECTIVE AND ECO-FRIENDLY DISINFECTANT DDT, DERL1, DUS2 MEN1 2682/4885KMT2A 1712/4885MAPT 4353/4885

“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.