SCHEMBL19975037

SCHEMBL19975037

CC(NCc1ccccc1)C(O)C(=O)NCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
HDAC3 O15379 1/20 0.42
ATM Q13315 2/20 0.42
SLC1A2 P43004 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL19974816 0.85 HDAC3 (0.41) SIGMAR1KMT2AMEN1ALDH1A1CYP2C19
SCHEMBL19974977 0.83 PSMB8 (0.46) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL19975234 0.81 F2 (0.43) SIGMAR1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL19974967 0.81 CA12 (0.41) SIGMAR1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL19975381 0.81 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL19975315 0.80 NAPEPLD (0.42) SIGMAR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL19975169 0.80 KMT2A (0.60) SIGMAR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL19975275 0.80 F10 (0.47) KMT2AMEN1ALDH1A1HDAC3LMNA
SCHEMBL3786533 0.80 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HDAC3NPC1
SCHEMBL3786538 0.80 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HDAC3NPC1

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 SIGMAR1 1966/4885KMT2A 4031/4885MEN1 4331/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SIGMAR1 2229/4885KMT2A 4177/4885MEN1 4361/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SIGMAR1 1966/4885KMT2A 4031/4885MEN1 4331/4885

“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.