SCHEMBL842996

SCHEMBL842996

CNCCN(C)C(=O)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP1 P09874 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNH2 Q12809 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ABCB1 P08183 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 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
SCHEMBL23417313 0.91 HPGD (0.51) HPGDTDP1CDK4CCND1HDAC6
SCHEMBL24732320 0.85 HSD17B2 (0.59) HPGDTDP1CDK4CCND1SMN1; SMN2
SCHEMBL31072740 0.84 CDK4 (0.53) HPGDCDK4CCND1HDAC6MEN1
SCHEMBL12163948 0.83 HPGD (0.63) HPGDTDP1CDK4CCND1HDAC6
SCHEMBL19903834 0.83 HPGD (0.58) HPGDTDP1CDK4CCND1HDAC6
Hydrochloric Acid SCHEMBL30221987 0.82 CDK4 (0.52) CDK4CCND1HDAC6MEN1KMT2A
SCHEMBL16900522 0.82 MEN1 (0.50) MEN1KMT2APARP1SMN1; SMN2
SCHEMBL1833078 0.82 OPRM1 (0.51) CDK4CCND1HDAC6MEN1KMT2A
SCHEMBL8286122 0.81 CDK4 (0.47) TDP1CDK4CCND1HDAC6HDAC8
SCHEMBL11913144 0.80 HPGD (0.74) HPGDTDP1CDK4CCND1HDAC6

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
WO-2021099793-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2021-05-27 WO disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 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 (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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 HPGD 4685/4885TDP1 2380/4885CDK4 920/4885

“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.