SCHEMBL4662641

SCHEMBL4662641

CC(=O)c1sc(OC(=O)Nc2ccccc2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 6/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
KDM4E B2RXH2 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTT P42858 3/20 0.48
GAA P10253 1/20 0.48
DHODH Q02127 1/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL27562376 0.77 RAB9A (0.64) RAB9ARECQLNPC1MAPTALDH1A1
SCHEMBL1013991 0.76 RAB9A (0.67) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6672199 0.74 RAB9A (0.65) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL17324735 0.73 SMN1; SMN2 (0.76) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3878040 0.71 ALDH1A1 (0.42) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL28769766 0.71 RAB9A (0.59) RAB9ARECQLNPC1MAPTALDH1A1
SCHEMBL28771220 0.70 KMT2A (0.50) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL11710697 0.69 RAB9A (0.57) RAB9ARECQLNPC1MAPTALDH1A1
SCHEMBL27712585 0.69 XPO1 (0.47) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL11796988 0.69 ALDH1A1 (0.56) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 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 (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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 RAB9A 1021/4885RECQL 4200/4885NPC1 1208/4885

“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.