SCHEMBL10242696

SCHEMBL10242696

CC(=O)Cc1c(C)noc1C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.49
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2172793 0.83 P2RX7 (0.49) P2RX7ALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL1372267 0.82 P2RX7 (0.48) P2RX7ALDH1A1GAAMEN1KMT2A
SCHEMBL14759859 0.82 P2RX7 (0.48) P2RX7ALDH1A1GAAMEN1KMT2A
SCHEMBL18255993 0.79 P2RX7 (0.49) P2RX7ALDH1A1GAAMEN1KMT2A
SCHEMBL2824162 0.77 ALDH1A1 (0.54) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL19403738 0.76 ATM (0.55) ALDH1A1
SCHEMBL14591562 0.75 P2RX7 (0.52) P2RX7MEN1KMT2A
SCHEMBL15339827 0.74 P2RX7 (0.45) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1928504 0.74 GAA (0.67) ALDH1A1GAAMEN1KMT2A
SCHEMBL13235907 0.73 ALDH1A1 (0.42) P2RX7ALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 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 (3 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 P2RX7 3181/4885ALDH1A1 1220/4885GAA 46/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 P2RX7 1090/4885ALDH1A1 102/4885GAA 586/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 P2RX7 3469/4885ALDH1A1 1505/4885GAA 57/4885

“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.