SCHEMBL4984430

SCHEMBL4984430

O=C(O)Cc1csc(N=C(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
GABRA5 P31644 1/20 0.47
GABRB2 P47870 1/20 0.47
GAA P10253 5/20 0.44
KDM4E B2RXH2 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
PDE5A O76074 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL13645970 0.83 LMNA (0.55) HSD17B10GAAKDM4ESMN1; SMN2LMNA
SCHEMBL15192150 0.73 PDE5A (0.37) HSD17B10GAAKDM4ESMN1; SMN2PDE5A
SCHEMBL27599948 0.71 KDM4E (0.78) KDM4ESMN1; SMN2PDE5AALDH1A1NPC1
SCHEMBL1422234 0.70 LMNA (0.74) GAAKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL25427575 0.69 HSD17B10 (0.61) HSD17B10GABRA5GABRB2GAAKDM4E
SCHEMBL11588558 0.69 HSD17B10 (0.45) HSD17B10GABRA5GABRB2GAAKDM4E
Hydrochloric Acid SCHEMBL826687 0.68 MEN1 (0.56) GAAKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL26986062 0.68 HDAC1 (0.62) HSD17B10GABRA5GABRB2GAAKDM4E
SCHEMBL11591241 0.68 HSD17B10 (0.51) HSD17B10GABRA5GABRB2GAAKDM4E
SCHEMBL11589491 0.68 HPGD (0.48) HSD17B10GABRA5GABRB2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
EP-1701724-A4 ALKYLAMINO, ARYLAMINO, AND SULFONAMIDO CYCLOPENTYL AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-11-14 EP disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
EP-1558243-A4 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 EP disclosed
EP-1701724-A2 ALKYLAMINO, ARYLAMINO, AND SULFONAMIDO CYCLOPENTYL AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2006-09-20 EP disclosed
US-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
EP-1558243-A2 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2005067502-A2 ALKYLAMINO, ARYLAMINO, AND SULFONAMIDO CYCLOPENTYL AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2005-07-28 WO disclosed
WO-2004041161-A2 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 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-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 HSD17B10 2559/4885GABRA5 1871/4885GABRB2 2571/4885
US-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity CCR2, CCR1, CCR9 HSD17B10 2070/4885GABRA5 698/4885GABRB2 804/4885

“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.