SCHEMBL3759901

SCHEMBL3759901

COC(=O)CSc1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 6/20 0.60
HPGD P15428 6/20 0.60
PKM P14618 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 9/20 0.59
MAPK10 P53779 1/20 0.59
RGS12 O14924 1/20 0.59
MAPT P10636 1/20 0.59
NPC1 O15118 3/20 0.57
HSD17B10 Q99714 3/20 0.57
ALOX15 P16050 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL20819203 0.89 LMNA (0.62) LMNARAB9ASMN1; SMN2HPGDPKM
SCHEMBL14385817 0.84 LMNA (1.00) LMNARAB9ASMN1; SMN2HPGDPKM
SCHEMBL19403428 0.83 LMNA (0.67) LMNARAB9ASMN1; SMN2HPGDPKM
SCHEMBL13461017 0.81 LMNA (0.64) LMNARAB9ASMN1; SMN2HPGDPKM
SCHEMBL432515 0.80 ALDH1A1 (0.57) LMNARAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL12230242 0.80 KMT2A (0.69) LMNARAB9ASMN1; SMN2HPGDPKM
SCHEMBL20545187 0.79 ALDH1A1 (0.56) LMNARAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL7900139 0.79 LMNA (0.79) LMNARAB9ASMN1; SMN2HPGDPKM
SCHEMBL10118118 0.79 ALDH1A1 (0.53) SMN1; SMN2HPGDKMT2AALDH1A1RGS12
SCHEMBL437152 0.79 ALDH1A1 (0.69) LMNARAB9ASMN1; SMN2HPGDPKM

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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 LMNA 4640/4885RAB9A 2043/4885SMN1; SMN2 4838/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 LMNA 4640/4885RAB9A 2043/4885SMN1; SMN2 4838/4885

“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.