SCHEMBL2988869

SCHEMBL2988869

N#CCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.43
POLB P06746 3/20 0.39
USP2 O75604 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 6/20 0.38
TP53 P04637 7/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 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
SCHEMBL13266365 0.91 RXFP1 (0.40) POLBUSP2RXFP1CRHBPCRHR2
SCHEMBL2575623 0.88 FADS1 (0.46) FADS1POLBUSP2RXFP1CRHBP
SCHEMBL2561992 0.84 ALDH1A1 (0.43) FADS1KDM4EALDH1A1LMNAMAPT
SCHEMBL2564170 0.83 FADS1 (0.49) FADS1POLBUSP2RXFP1CRHBP
SCHEMBL2575626 0.82 FADS1 (0.64) FADS1POLBUSP2RXFP1CRHBP
SCHEMBL2566730 0.81 FADS1 (0.42) FADS1POLBRXFP1ALDH1A1LMNA
SCHEMBL2997555 0.80 FADS1 (0.46) FADS1RXFP1ALDH1A1MAPTTP53
SCHEMBL2561188 0.80 FADS1 (0.42) FADS1POLBRXFP1KDM4EALDH1A1
SCHEMBL2578908 0.80 ALDH1A1 (0.42) FADS1USP2KDM4EALDH1A1LMNA
SCHEMBL2565032 0.80 TSHR (0.45) FADS1POLBKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES FADS1 140/4885POLB 4165/4885USP2 4669/4885

“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.