SCHEMBL4348128

SCHEMBL4348128

COc1cc(C(=O)NCc2ccc(C)o2)cc2c(-c3cccc(F)c3)n[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
PKM P14618 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
NTRK1 P04629 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4334638 0.90 HPGD (0.42) ALDH1A1PKMHPGDHSD17B10MEN1
SCHEMBL4345594 0.89 HPGD (0.42) ALDH1A1PKMHPGDHSD17B10MEN1
SCHEMBL4334956 0.87 HPGD (0.53) ALDH1A1PKMHPGDHSD17B10MEN1
SCHEMBL4332464 0.86 CSNK1D (0.41) ALDH1A1PKMHPGDHSD17B10MEN1
SCHEMBL4341438 0.83 TTK (0.51) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL4332230 0.80 MAPT (0.44) SMN1; SMN2ROCK2ROCK1NTRK1MAPT
SCHEMBL4340568 0.79 HPGD (0.56) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4333958 0.79 HPGD (0.56) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL2861181 0.78 MAP2K4 (0.51) ALDH1A1HPGDNTRK1KDM4EMAPK1
SCHEMBL4336101 0.78 HPGD (0.57) ALDH1A1PKMHPGDMEN1TSHR

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 ALDH1A1 1588/4885PKM 3344/4885HPGD 1817/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ALDH1A1 1588/4885PKM 3344/4885HPGD 1817/4885

“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.