SCHEMBL4785283

SCHEMBL4785283

COC(=O)c1ccc2c(N3CCN(C)CC3)nn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
WDR5 P61964 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
RBBP5 Q15291 1/20 0.40
ASH2L Q9UBL3 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL30987765 0.90 KDM4E (0.54) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL18561356 0.90 KDM4E (0.43) KDM4EALDH1A1GAAWDR5NPC1
SCHEMBL4785947 0.86 CHEK1 (0.45) KDM4EALDH1A1KMT2AMEN1HDAC3
SCHEMBL4782350 0.85 CHEK1 (0.44) KDM4EALDH1A1KMT2AMEN1HDAC3
Lithium Ion SCHEMBL4782345 0.84 CYP3A4 (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4807228 0.79 KDM4E (0.52) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL4782979 0.78 RAB9A (0.55) KDM4EALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL23559707 0.77 ADORA2A (0.47) KDM4EALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL4783556 0.77 MAPK1 (0.46) KDM4EALDH1A1GAAWDR5TSHR
SCHEMBL4785545 0.76 ALDH1A1 (0.59) KDM4EALDH1A1GAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R KDM4E 3887/4885ALDH1A1 2090/4885GAA 921/4885

“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.