SCHEMBL19508071

SCHEMBL19508071

Cn1nc(C(C)(C)C)cc1C(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
GRN P28799 1/20 0.52
SORT1 Q99523 1/20 0.52
MAPK14 Q16539 11/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CNR2 P34972 1/20 0.35

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
SCHEMBL821308 0.85 KDM4E (0.52) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL14043867 0.84 TGFBR1 (0.39) KDM4EGRNSORT1MAPTLMNA
SCHEMBL26275310 0.81 KDM4E (0.48) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL10221896 0.79 KDM4E (0.47) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL255124 0.77 SMN1; SMN2 (0.39) KDM4EGRNSORT1LMNA
SCHEMBL24415140 0.76 GRN (0.44) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL20932926 0.76 KDM4E (0.32) KDM4EGRNSORT1
SCHEMBL17473204 0.75 JAK2 (0.32) KDM4EGRNSORT1MAPK14
SCHEMBL16441499 0.75 JAK2 (0.36) KDM4EGRNSORT1
SCHEMBL20932927 0.75 MAP3K12 (0.44) KDM4EGRNSORT1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2023-01-12 US disclosed
US-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 US disclosed
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO 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-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP KDM4E 3179/4885GRN 2227/4885SORT1 1855/4885
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4550/4885GRN 1122/4885SORT1 490/4885
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP4K2, MAP4K4 KDM4E 1118/4885GRN 1669/4885SORT1 3962/4885

“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.