SCHEMBL19699489

SCHEMBL19699489

CC(C)C(=O)Nc1cnn(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
EPHX2 P34913 1/20 0.49
MAOA P21397 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
IDO1 P14902 1/20 0.45
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM1A O60341 2/20 0.42
NAMPT P43490 1/20 0.42
RECQL P46063 1/20 0.42
MAP3K5 Q99683 1/20 0.42
PIM1 P11309 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
SCHEMBL30074920 0.88 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTL3MBTL1EPHX2
SCHEMBL24669800 0.81 RAB9A (0.51) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
SCHEMBL6971648 0.79 HTT (0.64) ALDH1A1SMN1; SMN2HTTL3MBTL1EPHX2
SCHEMBL4730942 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTL3MBTL1EPHX2
SCHEMBL2625560 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTTL3MBTL1EPHX2
SCHEMBL25789181 0.79 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21395217 0.79 HIF1A (0.47) ALDH1A1SMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL19851616 0.78 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2HTTL3MBTL1EPHX2
SCHEMBL3937642 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTL3MBTL1EPHX2
SCHEMBL4281439 0.78 POLB (0.58) ALDH1A1SMN1; SMN2HTTL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 CN claimed
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US 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 (7 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 993/4885SMN1; SMN2 2016/4885HTT 420/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885SMN1; SMN2 13/4885HTT 6/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885SMN1; SMN2 1917/4885HTT 365/4885
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 2350/4885SMN1; SMN2 2473/4885HTT 432/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 ALDH1A1 4754/4885SMN1; SMN2 3143/4885HTT 1802/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885SMN1; SMN2 13/4885HTT 6/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR ALDH1A1 4414/4885SMN1; SMN2 3489/4885HTT 854/4885

“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.