SCHEMBL19974933

SCHEMBL19974933

CCCC(NC(=O)c1ccccc1)C(O)C(=O)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
GPR88 Q9GZN0 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCR1 P32246 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BACE1 P56817 6/20 0.42

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
SCHEMBL19975443 0.90 MEN1 (0.55) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL19974854 0.83 GPR88 (0.45) GPR88RAB9ANPC1PRSS1CTSG
SCHEMBL19982891 0.81 MEN1 (0.49) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL3719801 0.81 SMN1; SMN2 (0.38) KMT2ALMNAGPR88SMN1; SMN2KDM1A
SCHEMBL3729020 0.81 SMN1; SMN2 (0.38) KMT2ALMNAGPR88SMN1; SMN2KDM1A
SCHEMBL418524 0.80 ALDH1A1 (0.52) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6059038 0.80 ALDH1A1 (0.52) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13412730 0.80 ALDH1A1 (0.52) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13115240 0.77 SMYD3 (0.36) KMT2ALMNAGPR88ALDH1A1SMN1; SMN2
SCHEMBL14143457 0.77 KMT2A (0.40) KMT2ALMNAGPR88HPGDTSHR

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 7 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
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 MEN1 4331/4885KMT2A 4031/4885LMNA 1909/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C MEN1 4361/4885KMT2A 4177/4885LMNA 2058/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C MEN1 4331/4885KMT2A 4031/4885LMNA 1909/4885

“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.