SCHEMBL4346820

SCHEMBL4346820

NC(=O)C(c1cccs1)n1nc(-c2cccc(F)c2)c2c(F)c(C(=O)O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.40
DCLRE1B Q9H816 1/20 0.33
LDHA P00338 1/20 0.33
CSNK1D P48730 3/20 0.33
CSNK1E P49674 3/20 0.33
DHODH Q02127 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CDC7 O00311 1/20 0.32
MAPK14 Q16539 1/20 0.32
KMO O15229 1/20 0.32
SIRT5 Q9NXA8 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
SCHEMBL4329361 0.88 CYP1A2 (0.37) PTGER1DHODHKDM4EALDH1A1
SCHEMBL4331950 0.86 CTSA (0.37) PTGER1CSNK1DCSNK1E
SCHEMBL4140638 0.82 NPC1 (0.32)
SCHEMBL4348125 0.82 PTGER1 (0.41) PTGER1LDHACSNK1DCSNK1EDHODH
SCHEMBL4335926 0.81 IKBKB (0.35) PTGER1
SCHEMBL4341027 0.80 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL4340947 0.79 PTGER1 (0.36) PTGER1DCLRE1BCSNK1DCSNK1EDHODH
SCHEMBL4341004 0.79 PTGER1 (0.36) PTGER1DCLRE1BCSNK1DCSNK1EDHODH
SCHEMBL4334945 0.78 CSNK1E (0.38) PTGER1DCLRE1BCSNK1DCSNK1EDHODH
SCHEMBL4339201 0.77 JAK2 (0.38) PTGER1DCLRE1BCSNK1DCSNK1EDHODH

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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PTGER1 3143/4885DCLRE1B 4617/4885LDHA 3498/4885

“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.