SCHEMBL5876817

SCHEMBL5876817

C1=CC(c2ccccc2)Cc2[nH]nc(-c3cccs3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
ALPL P05186 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPK1 P28482 4/20 0.37
POLB P06746 3/20 0.37
GLA P06280 3/20 0.37
ATM Q13315 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDR P35968 1/20 0.36
ADORA2A P29274 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL5878068 0.83 PIM1 (0.40) KDRLMNAMAPK10HCAR2HTR7
SCHEMBL5876644 0.83 MAPK10 (0.46) KDM4EALDH1A1HPGDALPLHSD17B10
SCHEMBL5877114 0.81 MKNK1 (0.40) MAPK1LMNAMAPK10HCAR2HTR7
SCHEMBL5875946 0.80 ADORA2A (0.38) KDRADORA2ALMNAMAPK10HCAR2
SCHEMBL5876901 0.76 LRRK2 (0.40) ALPLHSD17B10TDP1L3MBTL1SMN1; SMN2
SCHEMBL5877629 0.76 LMNA (0.33) KDM4ETDP1SMN1; SMN2TP53LMNA
SCHEMBL5877175 0.75 IDO1 (0.45) KDM4EALDH1A1ALPLHSD17B10MEN1
SCHEMBL5875924 0.75 HCAR2 (0.38) LMNAMAPK10HCAR2HTR7
SCHEMBL5878102 0.75 IDO1 (0.42) KDRLMNAMAPK10CYP3A4CYP2C9
SCHEMBL5876273 0.74 CSF1R (0.36) KDM4EKMT2AMAPK1L3MBTL1KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 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 (1 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT KDM4E 3189/4885ALDH1A1 166/4885HPGD 315/4885

“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.