SCHEMBL3279191

SCHEMBL3279191

CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 1.00
POLB P06746 6/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
ALDH1A1 P00352 6/20 0.74
KDM4E B2RXH2 2/20 0.74
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
HSD17B10 Q99714 1/20 0.74
LMNA P02545 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
USP2 O75604 3/20 0.68
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64

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
SCHEMBL8289546 0.91 ESR2 (1.00) ESR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL8288583 0.88 ESR2 (1.00) ESR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL11369250 0.81 ALDH1A1 (0.97) ESR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL3914067 0.80 ALDH1A1 (0.84) ESR2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6248815 0.80 MEN1 (0.81) ESR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL3278398 0.79 ALDH1A1 (1.00) ESR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5806397 0.79 ALDH1A1 (0.74) ESR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6246144 0.79 MEN1 (0.83) ESR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5806395 0.79 ALDH1A1 (0.74) ESR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL8289734 0.78 ALDH1A1 (0.76) ESR2POLBSMN1; SMN2MEN1KMT2A

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-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC ESR2 4200/4885POLB 831/4885SMN1; SMN2 4264/4885

“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.