SCHEMBL4331604

SCHEMBL4331604

O=C(NC[C@@H]1CCCO1)c1cc(F)c2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.61
CYP2C9 P11712 2/20 0.61
CYP1A2 P05177 1/20 0.61
GAA P10253 1/20 0.61
CYP2C19 P33261 1/20 0.61
GSK3B P49841 2/20 0.51
KCNH2 Q12809 1/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPK14 Q16539 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4332657 1.00 HPGD (0.61) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL4336397 0.93 HPGD (0.61) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL4336379 0.93 HPGD (0.61) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL4340568 0.89 HPGD (0.56) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL4333958 0.89 HPGD (0.56) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL4345592 0.88 MEN1 (0.51) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL4333976 0.88 MEN1 (0.51) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL2868838 0.86 HPGD (0.65) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL2866665 0.86 GABRA5 (0.48) HPGDCYP2C9CYP1A2GAACYP2C19
SCHEMBL13635754 0.80 GABRA5 (0.37) HPGDCYP2C9CYP1A2GAACYP2C19

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 7 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
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-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-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 (2 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 HPGD 1817/4885CYP2C9 923/4885CYP1A2 379/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 HPGD 1817/4885CYP2C9 923/4885CYP1A2 379/4885

“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.