SCHEMBL17899379

SCHEMBL17899379

CCNC(=O)c1ccc(C(C)=O)c(Nc2ccc(OCCOC3CCOCC3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ALDH1A1 P00352 3/20 0.37
BRD4 O60885 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SPIN1 Q9Y657 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL17888600 0.88 AKR1C3 (0.39) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL17899158 0.84 AKR1C3 (0.41) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL17899152 0.83 AKR1C3 (0.38) RAB9ANPC1MEN1KMT2AAKR1C3
SCHEMBL17888618 0.81 AKR1C3 (0.45) RAB9AMEN1KMT2AAKR1C3AKR1C2
SCHEMBL17931447 0.80 MAPT (0.40) RAB9AL3MBTL1AKR1C3AKR1C2ALDH1A1
SCHEMBL17888611 0.78 ALDH1A1 (0.43) ALDH1A1MAPTKDM4E
SCHEMBL23190672 0.78 SPIN1 (0.38) AKR1C3AKR1C2MAPTSPIN1
SCHEMBL17888653 0.76 AKR1C3 (0.39) AKR1C3AKR1C2ALDH1A1MAPTKDM4E
SCHEMBL17888547 0.75 MEN1 (0.38) RAB9AMEN1KMT2AAKR1C3AKR1C2
SCHEMBL17888616 0.75 CETP (0.41) AKR1C3AKR1C2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
EP-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI RAB9A 983/4885NPC1 307/4885MEN1 1343/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 RAB9A 1635/4885NPC1 4421/4885MEN1 2538/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A RAB9A 1734/4885NPC1 4388/4885MEN1 2241/4885

“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.