SCHEMBL4638539

SCHEMBL4638539

CC(C)(O)c1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(F)cc(C(F)(F)F)c2)c1-c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
GPBAR1 Q8TDU6 4/20 0.36
EPAS1 Q99814 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.33
P2RX7 Q99572 1/20 0.33
CRHR1 P34998 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
BRAF P15056 1/20 0.32
RORC P51449 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4637782 0.96 IDH1 (0.42) IDH1GPBAR1EPAS1ALDH1A1MAPT
SCHEMBL4638005 0.88 GPBAR1 (0.40) IDH1GPBAR1EPAS1ALDH1A1MAPT
SCHEMBL4637937 0.85 IDH1 (0.43) IDH1GPBAR1EPAS1ALDH1A1MAPT
SCHEMBL4637959 0.84 CNR1 (0.34) IDH1GPBAR1ALDH1A1TSHR
SCHEMBL4637810 0.84 IDH1 (0.42) IDH1GPBAR1ALDH1A1TSHRP2RX7
SCHEMBL14587211 0.84 ALDH1A1 (0.44) IDH1GPBAR1ALDH1A1MAPTMAPK1
SCHEMBL4637940 0.83 IDH1 (0.41) IDH1GPBAR1EPAS1ALDH1A1MAPT
SCHEMBL4706963 0.83 IDH1 (0.40) IDH1GPBAR1P2RX7CRHR1RORC
SCHEMBL4637976 0.79 IDH1 (0.43) IDH1GPBAR1ALDH1A1TSHRP2RX7
SCHEMBL4637879 0.79 EPAS1 (0.40) IDH1GPBAR1EPAS1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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 (1 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 IDH1 4314/4885GPBAR1 101/4885EPAS1 2885/4885

“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.