SCHEMBL20364263

SCHEMBL20364263

COC(=O)c1nc2cnccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
CASP1 P29466 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
NCOA1 Q15788 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RCE1 Q9Y256 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL2174930 0.84 CYP2C9 (0.56) ALDH1A1CYP2C9KDM4EHTTMAPT
SCHEMBL26538335 0.82 CYP2C9 (0.46) ALDH1A1CYP2C9KDM4ECASP1MAPT
SCHEMBL10990606 0.80 CYP2C9 (0.44) ALDH1A1CYP2C9KDM4ECASP1HPGD
SCHEMBL17903881 0.79 CYP2C9 (0.71) ALDH1A1CYP2C9KDM4EMAPTMEN1
SCHEMBL10991803 0.79 LRRK2 (0.49) ALDH1A1CYP2C9KDM4EHPGDHTT
SCHEMBL5542855 0.79 CYP2C9 (0.43) ALDH1A1CYP2C9KDM4ECASP1HPGD
SCHEMBL4345364 0.79 ALDH1A1 (1.00) ALDH1A1CASP1HPGDMAPTNPC1
Lithium Ion SCHEMBL5542846 0.78 CYP2C9 (0.42) ALDH1A1CYP2C9KDM4ECASP1HPGD
SCHEMBL20832544 0.76 ALDH1A1 (0.67) ALDH1A1KDM4EGAACASP1HPGD
SCHEMBL10990012 0.76 RAB9A (0.57) ALDH1A1CYP2C9KDM4EGAAHPGD

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
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
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
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 ALDH1A1 2566/4885CYP2C9 4528/4885KDM4E 1323/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 ALDH1A1 2566/4885CYP2C9 4528/4885KDM4E 1323/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 ALDH1A1 2566/4885CYP2C9 4528/4885KDM4E 1323/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 ALDH1A1 2566/4885CYP2C9 4528/4885KDM4E 1323/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 ALDH1A1 2566/4885CYP2C9 4528/4885KDM4E 1323/4885

“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.