SCHEMBL3515533

SCHEMBL3515533

O=C(NC1CCCCC1)c1cccc(C[C@@H]2CCCCN2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GFER P55789 1/20 0.51
HPGD P15428 1/20 0.51
SMYD3 Q9H7B4 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2B P41595 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM1A O60341 1/20 0.47

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
SCHEMBL3671105 0.82 POLB (0.57) POLBKMT2A
SCHEMBL6399782 0.81 L3MBTL1 (0.54) LMNARAB9ANPC1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL6399092 0.80 L3MBTL1 (0.53) LMNARAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL19912785 0.78 RAB9A (0.63) LMNARAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL16671249 0.78 RAB9A (0.63) LMNARAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL9265040 0.77 RAB9A (0.79) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL6707186 0.77 RAB9A (0.79) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL3675224 0.77 PARP1 (0.52)
SCHEMBL21257402 0.77 SMYD3 (0.78) LMNARAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL12736080 0.75 LMNA (0.56) LMNARAB9ANPC1L3MBTL1SMN1; SMN2

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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 US claimed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP claimed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 WO claimed
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 LMNA 3126/4885RAB9A 716/4885NPC1 367/4885

“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.