SCHEMBL2854896

SCHEMBL2854896

CCC#CCOc1cccc(NC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
AHR P35869 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.50
NR4A1 P22736 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL7348005 0.84 RAB9A (0.62) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL16363804 0.83 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL3064450 0.83 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL10264545 0.82 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL17191015 0.81 MAOB (0.56) SMN1; SMN2MEN1KMT2A
SCHEMBL3663859 0.81 APP (0.50) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL11546092 0.81 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL9969534 0.80 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL13978380 0.79 RAB9A (0.67) RAB9ASMN1; SMN2NPC1AHRMEN1
SCHEMBL10755249 0.78 NPC1 (0.74) RAB9ASMN1; SMN2NPC1AHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-08-19 US disclosed
US-7727980-B2 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods ZHI LIN 2006-06-15 US disclosed
US-7026484-B2 For therapy of cancer LIGAND PHARMACEUTICALS INCORPORATED (US) 2006-04-11 US disclosed
EP-1363909-A2 TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
US-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 US disclosed
WO-2002066475-A2 TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-08-29 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 (4 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-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA RAB9A 4811/4885SMN1; SMN2 4883/4885NPC1 1299/4885
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA RAB9A 4811/4885SMN1; SMN2 4883/4885NPC1 1299/4885
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA RAB9A 4809/4885SMN1; SMN2 4879/4885NPC1 1384/4885
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA RAB9A 4811/4885SMN1; SMN2 4883/4885NPC1 1299/4885

“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.