SCHEMBL21645893

SCHEMBL21645893

CCCCOc1ccnc(/C=N/O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 3/20 0.42
RAB9A P51151 3/20 0.42
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 5/20 0.40
CYP19A1 P11511 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL21645894 1.00 MEN1 (0.50) MEN1KMT2AALOX15L3MBTL1KDM4E
SCHEMBL23909411 0.86 KDM4E (0.51) MEN1KMT2AALOX15L3MBTL1KDM4E
SCHEMBL2455863 0.80 CYP2D6 (0.45) MEN1KMT2AL3MBTL1KDM4EGAA
SCHEMBL28313608 0.79 KDM4E (0.58) MEN1KMT2AALOX15L3MBTL1KDM4E
SCHEMBL21645970 0.76 HPGD (0.46) ALOX15L3MBTL1KDM4ESMN1; SMN2HSP90AA1
SCHEMBL21645971 0.76 HPGD (0.46) ALOX15L3MBTL1KDM4ESMN1; SMN2HSP90AA1
SCHEMBL21645921 0.76 KDM4E (0.44) MEN1KMT2AALOX15L3MBTL1KDM4E
SCHEMBL21645917 0.75 L3MBTL1 (0.54) MEN1KMT2AALOX15L3MBTL1KDM4E
SCHEMBL21645918 0.75 L3MBTL1 (0.54) MEN1KMT2AALOX15L3MBTL1KDM4E
SCHEMBL9915502 0.74 ALDH1A1 (0.44) MEN1KMT2AALOX15L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065409-B2 Analogs of 2-pralidoxime as antidotes against organophosphorus nerve agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2024-08-20 US disclosed
US-20210317084-A1 Analogs of 2-Pralidoxime as Antidotes Against Organophosphorus Nerve Agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-10-14 US disclosed
WO-2020027905-A2 ANALOGS OF 2-PRALIDOXIME AS ANTIDOTES AGAINST ORGANOPHOSPHORUS NERVE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-02-06 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 (2 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-20210317084-A1 Analogs of 2-Pralidoxime as Antidotes Against Organophosphorus Nerve Agents ACHE, DDT, BCHE MEN1 625/4885KMT2A 1328/4885ALOX15 3195/4885
US-12065409-B2 Analogs of 2-pralidoxime as antidotes against organophosphorus nerve agents ACHE, DDT, BCHE MEN1 625/4885KMT2A 1328/4885ALOX15 3195/4885

“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.