SCHEMBL804653

SCHEMBL804653

Cc1ccc(C(=O)NC2CCCC2)c(S)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 2/20 0.56
HPGD P15428 2/20 0.56
CYP2C19 P33261 2/20 0.56
TAS1R3 Q7RTX0 3/20 0.56
TAS1R1 Q7RTX1 3/20 0.56
TAS1R2 Q8TE23 3/20 0.56
F12 P00748 1/20 0.54
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL8210918 0.83 NPC1 (0.74) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL22720107 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL12121141 0.82 NPC1 (0.68) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL787120 0.81 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL28694288 0.81 NPC1 (0.70) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL12121057 0.81 NPC1 (0.70) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL22720141 0.81 NPC1 (0.70) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL24405425 0.80 NPC1 (0.69) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL22720180 0.79 NPC1 (0.63) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL22720169 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2CYP1A2HPGD

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 2 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US 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 1823/4885NPC1 3399/4885SMN1; SMN2 1843/4885

“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.