SCHEMBL3374934

SCHEMBL3374934

COC(=O)c1ccc(C(=O)NCC(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
RAB9A P51151 5/20 0.68
ALDH1A1 P00352 4/20 0.68
NPC1 O15118 2/20 0.68
HPGD P15428 2/20 0.68
AGTR1 P30556 1/20 0.68
TSHR P16473 1/20 0.61
MAPT P10636 5/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PTPN1 P18031 1/20 0.55
ALOX12 P18054 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
POLB P06746 1/20 0.53
GAA P10253 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL3231208 0.86 ALDH1A1 (0.68) SMN1; SMN2RAB9AALDH1A1NPC1HPGD
SCHEMBL7221288 0.86 MMP1 (0.55) SMN1; SMN2RAB9AALDH1A1NPC1HPGD
SCHEMBL7389327 0.86 CA1 (0.66) RAB9AALDH1A1NPC1MAPTMEN1
SCHEMBL11336785 0.86 POLB (0.61) SMN1; SMN2RAB9AALDH1A1NPC1HPGD
Methane SCHEMBL11380092 0.84 ALDH1A1 (0.66) SMN1; SMN2RAB9AALDH1A1NPC1HPGD
SCHEMBL28483353 0.83 ALDH1A1 (0.73) SMN1; SMN2RAB9AALDH1A1NPC1HPGD
SCHEMBL4687356 0.83 MAPT (0.62) SMN1; SMN2RAB9ATSHRMAPTMEN1
SCHEMBL13949637 0.83 RAB9A (0.51) SMN1; SMN2RAB9AALDH1A1NPC1HPGD
SCHEMBL11021070 0.83 TSHR (0.76) SMN1; SMN2RAB9AALDH1A1NPC1HPGD
SCHEMBL23014298 0.81 RAB9A (0.61) SMN1; SMN2RAB9AALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
EP-1752455-A2 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2007-02-14 EP disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 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 (3 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-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 SMN1; SMN2 4794/4885RAB9A 2123/4885ALDH1A1 1249/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 SMN1; SMN2 4794/4885RAB9A 2123/4885ALDH1A1 1249/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 SMN1; SMN2 4794/4885RAB9A 2123/4885ALDH1A1 1249/4885

“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.