SCHEMBL2474052

SCHEMBL2474052

Cc1ccc(C2c3c(C)c(N4CCN(c5ccc(F)cc5)CC4)c(C)c(C)c3OC2(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
DHFR P00374 1/20 0.34
LMNA P02545 5/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2470988 0.94 DHFR (0.35) MEN1KMT2ADHFRMAPTALDH1A1
SCHEMBL2472850 0.90 L3MBTL1 (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2471718 0.89 CA12 (0.36) DHFRMAPTCYP3A4SMN1; SMN2
SCHEMBL2468274 0.88 NPC1 (0.36) MAPTALDH1A1MAPK1
SCHEMBL2472828 0.87 GFER (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2476913 0.87 MAPT (0.37) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5341129 0.87 MAPT (0.34) CCR4MEN1KMT2ADHFRLMNA
SCHEMBL2468277 0.87 LMNA (0.32) LMNA
SCHEMBL2469995 0.86 KDM4E (0.37) DHFRALDH1A1TP53
Hydrochloric Acid SCHEMBL2473366 0.86 MAPT (0.37) MEN1KMT2ALMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP claimed
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 CCR4 2928/4885MEN1 3305/4885KMT2A 2363/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 CCR4 2029/4885MEN1 2945/4885KMT2A 3497/4885

“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.