SCHEMBL3754084

SCHEMBL3754084

CC(C)CC(CNC(=O)c1sc(-c2cccnc2)nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
P2RX7 Q99572 4/20 0.41
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
GCGR P47871 1/20 0.39

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
SCHEMBL13043142 0.91 MEN1 (0.64) MEN1MAPTKMT2APPARDPPARA
SCHEMBL3751376 0.83 P2RX7 (0.50) MEN1MAPTKMT2APPARDPPARA
SCHEMBL3751371 0.81 CYP1A2 (0.59) MEN1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL3748427 0.80 CYP1A2 (0.62) MEN1MAPTKMT2APPARDPPARA
SCHEMBL13043131 0.79 P2RX7 (0.64) MEN1MAPTKMT2APPARDPPARA
SCHEMBL3741852 0.79 NPC1 (0.48) MEN1MAPTKMT2APPARDPPARA
SCHEMBL3749004 0.77 P2RX7 (0.44) MEN1MAPTKMT2APPARAPPARG
SCHEMBL3740506 0.77 P2RX7 (0.51) P2RX7
SCHEMBL14635630 0.77 MEN1 (0.52) MEN1MAPTKMT2APPARDPPARA
SCHEMBL3736799 0.77 P2RX7 (0.55) P2RX7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP claimed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US claimed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 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 (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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 MEN1 4162/4885MAPT 4086/4885KMT2A 3781/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 MEN1 4162/4885MAPT 4086/4885KMT2A 3781/4885

“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.