SCHEMBL2864259

SCHEMBL2864259

O=C(O)n1nc(-c2cccc(F)c2)c2cc(CCl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.43
ICMT O60725 3/20 0.39
KDM4E B2RXH2 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
PDE4B Q07343 1/20 0.37
MAPT P10636 1/20 0.37
HPN P05981 1/20 0.37
ADORA1 P30542 2/20 0.36
MAP2K4 P45985 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL2863245 0.89 PTGER1 (0.43) PTGER1ICMTKDM4EHDAC1HDAC6
SCHEMBL2871350 0.88 PTGER1 (0.43) PTGER1ICMTKDM4EHDAC1HDAC6
SCHEMBL2859046 0.88 TAAR1 (0.46) PTGER1ICMTKDM4EHDAC1HDAC6
SCHEMBL2862273 0.84 MAP2K4 (0.55) PTGER1ICMTKDM4EHDAC1HDAC6
SCHEMBL4327851 0.82 PTGER1 (0.45) PTGER1ICMTKDM4EADORA1MAP2K4
SCHEMBL6757088 0.81 PTGER1 (0.57) PTGER1KDM4EALDH1A1HTT
SCHEMBL13198129 0.81 L3MBTL1 (0.41) PTGER1KDM4EHPNADORA1ALDH1A1
SCHEMBL2867293 0.80 PTGER1 (0.43) PTGER1ICMTKDM4EMAP2K4PTGDR2
SCHEMBL2860693 0.78 L3MBTL1 (0.54) PTGER1MAPT
SCHEMBL2860687 0.78 L3MBTL1 (0.54) PTGER1MAPT

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
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 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 (3 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PTGER1 3143/4885ICMT 3178/4885KDM4E 2531/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PTGER1 4240/4885ICMT 2656/4885KDM4E 2430/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PTGER1 3143/4885ICMT 3178/4885KDM4E 2531/4885

“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.