SCHEMBL2857580

SCHEMBL2857580

O=C(Nc1cc2c(-c3cccc(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
CASP3 P42574 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ELANE P08246 3/20 0.38
TACR3 P29371 1/20 0.38
MGAT2 Q10469 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ENPP2 Q13822 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLAU P00749 1/20 0.36
PTPN1 P18031 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL2862953 0.84 MGLL (0.43) MGLLCASP3NPC1RAB9AELANE
SCHEMBL2870394 0.77 PTGER1 (0.43) ALDH1A1LMNA
SCHEMBL2867721 0.73 SRC (0.39) MGLLNPC1RAB9ATACR3ENPP2
SCHEMBL2861558 0.72 PTGER1 (0.39) ALDH1A1LMNA
SCHEMBL27536102 0.71 PTGDR2 (0.35) TACR3
SCHEMBL2861890 0.70 PTGER1 (0.37) ALDH1A1LMNA
SCHEMBL2865210 0.70 MAOB (0.36) MGLLCASP3NPC1RAB9AMEN1
SCHEMBL4150603 0.69 RXFP1 (0.35) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL2861173 0.69 SRC (0.43) MGLLNPC1RAB9AELANETACR3
SCHEMBL2860001 0.69 ADORA2A (0.42) ALDH1A1LMNA

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 MGLL 4654/4885CASP3 292/4885NPC1 1164/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MGLL 4782/4885CASP3 644/4885NPC1 1171/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MGLL 4654/4885CASP3 292/4885NPC1 1164/4885

“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.