SCHEMBL4331298

SCHEMBL4331298

CC(=O)NCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NPY1R P25929 1/20 0.38

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
SCHEMBL4341026 0.87 TSHR (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL2864933 0.83 PIP5K1C (0.48) JAK2JAK3MAOBNPC1RAB9A
SCHEMBL4336091 0.83 HSD17B10 (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL2872600 0.82 KDM4E (0.45) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL4327031 0.82 MTNR1A (0.41) MAPK1JAK2JAK3NPC1RAB9A
SCHEMBL4334476 0.81 MKNK1 (0.48) ALDH1A1KMT2AMEN1JAK2JAK3
SCHEMBL13198263 0.81 MKNK1 (0.48) ALDH1A1KMT2AMEN1JAK2JAK3
SCHEMBL4341132 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1JAK2JAK3
SCHEMBL13198297 0.81 TOP2A (0.49) KDM4EALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL4332488 0.80 MAPK10 (0.39) MAPK1JAK2JAK3RAB9ASIRT2

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 6 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
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 KDM4E 2531/4885ALDH1A1 1588/4885HSD17B10 1699/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDM4E 2531/4885ALDH1A1 1588/4885HSD17B10 1699/4885

“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.