SCHEMBL6033907

SCHEMBL6033907

CCSc1ccc(NC(C)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
USP2 O75604 1/20 0.58
RAB9A P51151 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CA12 O43570 1/20 0.53
BRD4 O60885 1/20 0.53
NR1I2 O75469 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MB P02144 1/20 0.53
CYP1A1 P04798 1/20 0.53
CA3 P07451 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL9751770 0.95 GAA (0.63) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL9751769 0.92 GAA (0.59) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL9518238 0.86 GAA (0.71) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL464521 0.82 RAB9A (0.65) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL11002802 0.81 GAA (1.00) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL11841835 0.81 GAA (0.65) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL18782334 0.81 RAB9A (0.63) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL8685308 0.80 GAA (0.63) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL29951045 0.80 GAA (0.63) GAAUSP2RAB9AMEN1KMT2A
SCHEMBL10294647 0.80 TP53 (0.66) GAARAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018011747-A1 POLYCYCLIC COMPOUNDS AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2018-01-18 WO disclosed
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 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 (4 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 GAA 417/4885USP2 2265/4885RAB9A 3470/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 GAA 892/4885USP2 944/4885RAB9A 3453/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 GAA 440/4885USP2 1311/4885RAB9A 2363/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 GAA 299/4885USP2 46/4885RAB9A 3487/4885

“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.