SCHEMBL2471718

SCHEMBL2471718

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
AKR1C3 P42330 1/20 0.34
PHGDH O43175 2/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 2/20 0.31
ACHE P22303 1/20 0.31
HTR7 P34969 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DHFR P00374 2/20 0.31
PPARD Q03181 1/20 0.31
DEGS1 O15121 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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 0.92 DHFR (0.35) AKR1C3MAPTHTR7DHFR
SCHEMBL2474086 0.90 HTR1A (0.38) CA12CA2CA9MAPTHSD11B1
SCHEMBL2474052 0.89 CCR4 (0.34) MAPTSMN1; SMN2DHFRCYP3A4
SCHEMBL2472828 0.84 GFER (0.39) MAPTSMN1; SMN2HTR7
SCHEMBL2468277 0.84 LMNA (0.32)
SCHEMBL2469995 0.84 KDM4E (0.37) HTR7HRH3DHFR
SCHEMBL2476247 0.83 AKR1C3 (0.39) CA12CA2CA9AKR1C3PHGDH
SCHEMBL2476854 0.83 POLB (0.43) MAPTSMN1; SMN2
SCHEMBL2471713 0.82 SLC6A3 (0.32)
SCHEMBL14492113 0.81 MAPT (0.44) MAPTSMN1; SMN2CYP3A4

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 CA12 2876/4885CA2 1823/4885CA9 1499/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 CA12 4476/4885CA2 3639/4885CA9 3457/4885

“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.