SCHEMBL20366997

SCHEMBL20366997

Nc1cn(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
ALDH1A1 P00352 7/20 0.54
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 3/20 0.47
TSHR P16473 1/20 0.47
HPGDS O60760 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45

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
SCHEMBL3568441 0.88 ALDH1A1 (0.54) CYP2C9ALDH1A1MAPTL3MBTL1POLB
SCHEMBL28192195 0.83 SMN1; SMN2 (0.55) CYP2C9ALDH1A1MAPTL3MBTL1POLB
SCHEMBL7455491 0.82 MAPT (0.55) CYP2C9ALDH1A1MAPTL3MBTL1POLB
SCHEMBL20023755 0.82 GAA (0.61) ALDH1A1MAPTL3MBTL1POLBGAA
SCHEMBL68334 0.80 ALDH1A1 (0.58) CYP2C9ALDH1A1MAPTL3MBTL1POLB
SCHEMBL14821628 0.80 ALDH1A1 (0.69) CYP2C9ALDH1A1MAPTL3MBTL1POLB
SCHEMBL14141391 0.79 NPC1 (0.73) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL4302959 0.79 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTL3MBTL1POLB
SCHEMBL6268028 0.77 CYP2C9 (0.54) CYP2C9ALDH1A1MAPTL3MBTL1POLB
SCHEMBL7660 0.77 ALDH1A1 (0.60) CYP2C9ALDH1A1MAPTL3MBTL1GAA

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-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-09-09 US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 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 (5 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-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 CYP2C9 4528/4885ALDH1A1 2566/4885MAPT 475/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 CYP2C9 4528/4885ALDH1A1 2566/4885MAPT 475/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 CYP2C9 4528/4885ALDH1A1 2566/4885MAPT 475/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 CYP2C9 4528/4885ALDH1A1 2566/4885MAPT 475/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 CYP2C9 4528/4885ALDH1A1 2566/4885MAPT 475/4885

“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.