SCHEMBL787120

SCHEMBL787120

COc1ccc(C(=O)NC2CCCC2)c(S)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGDS O60760 2/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CRHBP P24387 1/20 0.50
HTT P42858 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
SCHEMBL28684615 0.83 RAB9A (0.61) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11239859 0.83 ALDH1A1 (0.70) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3455875 0.83 ALDH1A1 (0.70) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL22720136 0.83 RAB9A (0.58) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12435559 0.82 RAB9A (0.60) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL804653 0.81 RAB9A (0.68) RAB9AALDH1A1HPGDMEN1KMT2A
SCHEMBL4218063 0.78 RAB9A (0.63) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12435557 0.78 ALDH1A1 (0.56) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12833007 0.77 RAB9A (0.58) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11240479 0.75 RAB9A (0.76) RAB9AALDH1A1HPGDMEN1KMT2A

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 WO disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C RAB9A 1823/4885ALDH1A1 4343/4885HPGD 3579/4885

“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.