SCHEMBL13876012

SCHEMBL13876012

CC(C)(C)C(=O)c1ccnc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
KDM6B O15054 3/20 0.37
KDM5C P41229 3/20 0.37
KDM4C Q9H3R0 3/20 0.37
KDM2A Q9Y2K7 3/20 0.37
KDM3A Q9Y4C1 3/20 0.37
KDM4A O75164 2/20 0.37
TET3 O43151 1/20 0.37
BBOX1 O75936 1/20 0.37
MAPT P10636 1/20 0.37
KDM5A P29375 1/20 0.37
ASPH Q12797 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TET2 Q6N021 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
KDM7A Q6ZMT4 1/20 0.37
KDM8 Q8N371 1/20 0.37
TET1 Q8NFU7 1/20 0.37
EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL16722814 0.82 KDM5C (0.50) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL18212371 0.81 UHRF1 (0.43) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL15114397 0.79 TAS1R3 (0.44) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL10819643 0.79 GABRP (0.61) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL13875969 0.79 TAS1R3 (0.44) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL25261764 0.78 KDM4C (0.61) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL16186718 0.78 MEN1 (0.43) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL13875972 0.77 KCNK3 (0.48) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL12663945 0.77 PROKR1 (0.42) KDM4D
SCHEMBL186166 0.75 KDM4C (0.63) ALDH1A1KDM4EKDM6BKDM5CKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 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 (2 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 ALDH1A1 310/4885KDM4E 992/4885KDM6B 602/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA ALDH1A1 1269/4885KDM4E 2640/4885KDM6B 3310/4885

“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.