SCHEMBL3777472

SCHEMBL3777472

Cc1ccc(CSC(=N)N)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
IDO1 P14902 9/20 0.59
TAAR1 Q96RJ0 3/20 0.56
HTT P42858 5/20 0.51
SLC11A2 P49281 2/20 0.51
NOS1 P29475 2/20 0.48
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ATP1A1 P05023 1/20 0.45
ATP1B1 P05026 1/20 0.45
ATP1A3 P13637 1/20 0.45
ATP1B2 P14415 1/20 0.45
ATP1A2 P50993 1/20 0.45
ATP1B3 P54709 1/20 0.45
FXYD2 P54710 1/20 0.45
ATP1A4 Q13733 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
HPGD P15428 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
SCHEMBL22275783 0.87 MAPT (0.67) MAPTIDO1TAAR1HTTSLC11A2
Bromide SCHEMBL22263193 0.86 MAPT (0.65) MAPTIDO1TAAR1HTTSLC11A2
SCHEMBL19499684 0.86 MAPT (0.65) MAPTIDO1TAAR1HTTSLC11A2
SCHEMBL29262559 0.82 LMNA (0.50) MAPTIDO1TAAR1LMNASMN1; SMN2
SCHEMBL3684816 0.81 MAPT (0.74) MAPTIDO1TAAR1HTTSLC11A2
Hydrochloric Acid SCHEMBL4008343 0.79 MAPT (0.71) MAPTIDO1TAAR1HTTSLC11A2
SCHEMBL15928217 0.79 IDO1 (0.51) MAPTIDO1TAAR1HTTSLC11A2
SCHEMBL11444341 0.78 LMNA (0.40) MAPTTAAR1LMNANPSR1
SCHEMBL3694691 0.77 TAAR1 (0.50) MAPTIDO1TAAR1HTTSLC11A2
Bromide SCHEMBL4448449 0.76 TAAR1 (0.49) MAPTIDO1TAAR1HTTSLC11A2

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
WO-2007075177-A2 ANTIBIOTICS TARGETING MREB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 WO claimed
US-20060241185-A1 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-10-26 US claimed
US-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
WO-2007075177-A2 ANTIBIOTICS TARGETING MREB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 WO disclosed
US-20060241185-A1 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-10-26 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-20060241185-A1 Antibiotics targeting MreB SMC4, INCENP, DDB1 MAPT 2901/4885IDO1 2985/4885TAAR1 4402/4885

“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.