SCHEMBL8908834

SCHEMBL8908834

CC(C)(C)C(=O)c1cnc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.41
AOC1 P19801 1/20 0.41
KMT2A Q03164 2/20 0.41
ESR1 P03372 2/20 0.41
CYP19A1 P11511 2/20 0.41
RBP4 P02753 1/20 0.40
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
GABRA1 P14867 1/20 0.38
NFKB1 P19838 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRR2 P28476 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL9374142 0.81 AOC1 (0.41) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL9374083 0.80 AOC1 (0.40) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL1801743 0.79 HRH3 (0.46) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL890216 0.76
SCHEMBL11033825 0.75 GAA (0.51) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL1829342 0.75 TP53 (0.42) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL26581877 0.75 HRH3 (0.49) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL12669761 0.75 TP53 (0.51) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL19388576 0.73 HRH3 (0.39) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL1664386 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
US-10822312-B2 Substituted quinazoline compounds and methods of use ARAXES PHARMA LLC (US) 2020-11-03 US disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA, LLC 2019-05-02 US disclosed
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-05 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (9 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS TP53 28/4885SMN1; SMN2 1357/4885NPC1 4317/4885
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH TP53 4458/4885SMN1; SMN2 4650/4885NPC1 1666/4885
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS TP53 1/4885SMN1; SMN2 1460/4885NPC1 2176/4885
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE NRAS, KRAS, HRAS TP53 31/4885SMN1; SMN2 2895/4885NPC1 3754/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 TP53 1613/4885SMN1; SMN2 3298/4885NPC1 106/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 TP53 1514/4885SMN1; SMN2 3515/4885NPC1 273/4885
US-10822312-B2 Substituted quinazoline compounds and methods of use NRAS, KRAS, HRAS TP53 63/4885SMN1; SMN2 2856/4885NPC1 2949/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS TP53 28/4885SMN1; SMN2 1357/4885NPC1 4317/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L TP53 1348/4885SMN1; SMN2 3511/4885NPC1 162/4885

“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.