SCHEMBL4332582

SCHEMBL4332582

COc1c(C(=O)NCCCN2CCCC2=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
RCE1 Q9Y256 1/20 0.47
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL4335955 0.86 RCE1 (0.54) L3MBTL1SMN1; SMN2RCE1ALDH1A1MAPK1
SCHEMBL4348188 0.84 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2RCE1ALDH1A1MAPK1
SCHEMBL13198254 0.84 DRD2 (0.40) RAB9ADRD2DRD4DRD3HTR1A
SCHEMBL4334929 0.82 LMNA (0.41) RAB9AMAPK1LMNADRD2DRD4
SCHEMBL2862809 0.82 RAB9A (0.50) SMN1; SMN2RAB9ARXFP1ALDH1A1MAPK1
SCHEMBL4333969 0.81 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2RCE1RAB9ARXFP1
SCHEMBL4335954 0.81 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2RCE1RAB9AALDH1A1
SCHEMBL4332920 0.80 JAK2 (0.42) SMN1; SMN2RAB9ARXFP1ALDH1A1MAPK1
SCHEMBL2865451 0.79 MAPK10 (0.42) DRD2DRD4
SCHEMBL4339889 0.78 BRD4 (0.46) SMN1; SMN2RAB9AALDH1A1CYP1A2LMNA

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 L3MBTL1 2399/4885SMN1; SMN2 4812/4885RCE1 1933/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 L3MBTL1 2399/4885SMN1; SMN2 4812/4885RCE1 1933/4885

“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.