SCHEMBL827641

SCHEMBL827641

O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.70
MAPT P10636 10/20 0.66
GAA P10253 3/20 0.66
TDP1 Q9NUW8 3/20 0.66
ALDH1A1 P00352 9/20 0.65
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
MAPK1 P28482 2/20 0.65
STAT1 P42224 1/20 0.65
P2RX4 Q99571 2/20 0.65
P2RX7 Q99572 2/20 0.65
P2RX2 Q9UBL9 1/20 0.63
ALOX12 P18054 5/20 0.62
LMNA P02545 5/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CCR6 P51684 1/20 0.59
POLB P06746 2/20 0.58
RXFP2 Q8WXD0 1/20 0.58

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
SCHEMBL12129932 0.82 NPC1 (0.78) MAPTGAATDP1ALDH1A1NPC1
SCHEMBL9900412 0.81 MAPT (0.69) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL14096446 0.80 ALDH1A1 (0.69) MAPTGAATDP1ALDH1A1NPC1
SCHEMBL5837764 0.80 ALDH1A1 (0.69) MAPTGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL3053989 0.78 ALDH1A1 (0.80) MAPTGAATDP1ALDH1A1NPC1
SCHEMBL19337602 0.77 MAPT (0.63) MAPTGAATDP1ALDH1A1NPC1
SCHEMBL827717 0.77 TDP1 (0.67) MAPTGAATDP1ALDH1A1ALOX12
SCHEMBL790152 0.77 RAB9A (1.00) MAPTGAATDP1ALDH1A1NPC1
SCHEMBL3053908 0.75 ALDH1A1 (0.63) MAPTGAATDP1ALDH1A1NPC1
SCHEMBL827645 0.75 CCR2 (0.57) CCR2MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 CCR2 1239/4885MAPT 1731/4885GAA 3210/4885

“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.