SCHEMBL2566112

SCHEMBL2566112

N#CCCNC(=O)CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC2CC2(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.35
TP53 P04637 6/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL2566749 0.90 TP53 (0.37) FADS1TP53MAPTALDH1A1USP2
SCHEMBL2564947 0.90 FADS1 (0.36) FADS1TP53MAPTALDH1A1USP2
SCHEMBL2568369 0.89 TP53 (0.38) FADS1TP53MAPTALDH1A1USP2
SCHEMBL2569153 0.88 TP53 (0.36) FADS1TP53MAPTALDH1A1USP2
SCHEMBL2989209 0.87 KDM4E (0.44) TP53MAPTALDH1A1USP2CRHBP
SCHEMBL13266354 0.86 FADS1 (0.37) FADS1TP53MAPTALDH1A1USP2
SCHEMBL2567374 0.86 FADS1 (0.49) FADS1TP53MAPTALDH1A1USP2
SCHEMBL2564706 0.86 RXFP1 (0.39) FADS1TP53MAPTALDH1A1USP2
SCHEMBL2563086 0.86 TP53 (0.36) FADS1TP53MAPTALDH1A1USP2
SCHEMBL2561315 0.86 FADS1 (0.36) FADS1TP53MAPTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
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
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 140/4885TP53 836/4885MAPT 2366/4885

“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.