SCHEMBL17899395

SCHEMBL17899395

CC(=O)c1ccc(C(N)=O)cc1Oc1ccc(N2CCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
RAB9A P51151 2/20 0.46
USP2 O75604 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
PARP14 Q460N5 5/20 0.45
PARP10 Q53GL7 5/20 0.45
MAPT P10636 8/20 0.44
ALDH1A1 P00352 6/20 0.43
MCL1 Q07820 2/20 0.43
PARP1 P09874 1/20 0.43
NR4A1 P22736 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
CHEK2 O96017 1/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GRIN2D O15399 1/20 0.40

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
SCHEMBL17899409 0.86 PARP10 (0.39) KMT2ARAB9APARP14PARP10MAPT
SCHEMBL17899153 0.83 PARP10 (0.37) KMT2APARP14PARP10MAPTALDH1A1
SCHEMBL17888639 0.82 PARP14 (0.38) PARP14PARP10MAPTPARP1CHEK2
SCHEMBL17899160 0.80 PARP10 (0.58) KMT2ARAB9APARP14PARP10MAPT
SCHEMBL21697445 0.80 PARP14 (0.36) PARP14PARP10MAPTALDH1A1PARP1
SCHEMBL17888562 0.80 PARP14 (0.35) PARP14PARP10MAPTPARP1KDM4E
SCHEMBL17931450 0.80 ACACB (0.39) USP2PARP14PARP10MAPTALDH1A1
SCHEMBL21697483 0.79 PARP10 (0.56) KMT2APARP14PARP10ALDH1A1PARP1
SCHEMBL17899406 0.77 PARP10 (0.44) KMT2ARAB9APARP14PARP10MAPT
SCHEMBL21697465 0.75 CHEK2 (0.47) KMT2APARP14PARP10MAPTALDH1A1

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
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US 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 KMT2A 1631/4885RAB9A 983/4885USP2 4622/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 KMT2A 510/4885RAB9A 1635/4885USP2 2368/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A KMT2A 538/4885RAB9A 1734/4885USP2 2526/4885

“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.