SCHEMBL19974816

SCHEMBL19974816

O=C(NCC1CC1)C(O)C(NCc1ccccc1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 2/20 0.39
MAOA P21397 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
SCHEMBL19975315 0.92 NAPEPLD (0.42) HDAC3MEN1KMT2ANPC1RAB9A
SCHEMBL19975037 0.85 SIGMAR1 (0.48) HDAC3MEN1KMT2ANPC1RAB9A
SCHEMBL3786533 0.79 ALDH1A1 (0.47) HDAC3MEN1KMT2ANPC1RAB9A
SCHEMBL3786538 0.79 ALDH1A1 (0.47) HDAC3MEN1KMT2ANPC1RAB9A
SCHEMBL19974967 0.77 CA12 (0.41) HDAC3MEN1KMT2AALDH1A1HPGD
SCHEMBL19975256 0.76 CXCR4 (0.46) HDAC3MEN1KMT2ANPC1RAB9A
SCHEMBL3786803 0.75 PKM (0.46) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL3786809 0.75 PKM (0.46) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL13176513 0.75 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL19974977 0.74 PSMB8 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1

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
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C HDAC3 3631/4885MEN1 4331/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C HDAC3 3776/4885MEN1 4361/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C HDAC3 3631/4885MEN1 4331/4885KMT2A 4031/4885

“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.