SCHEMBL3782640

SCHEMBL3782640

CCCCCCCSC(=N)N

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.82
NOS3 P29474 4/20 0.82
NOS2 P35228 4/20 0.82
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 5/20 0.56
CYP2C19 P33261 3/20 0.56
ALDH1A1 P00352 2/20 0.55
HRH4 Q9H3N8 5/20 0.55
TDP1 Q9NUW8 4/20 0.54
HRH2 P25021 1/20 0.54
TSHR P16473 2/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 2/20 0.48
BLM P54132 1/20 0.48
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
APEX1 P27695 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9322246 1.00 NOS1 (0.82) NOS1NOS3NOS2HSD17B10CYP1A2
SCHEMBL11590702 1.00 NOS1 (0.82) NOS1NOS3NOS2HSD17B10CYP1A2
SCHEMBL31240346 1.00 NOS1 (0.82) NOS1NOS3NOS2HSD17B10CYP1A2
SCHEMBL14085945 1.00 NOS1 (0.82) NOS1NOS3NOS2HSD17B10CYP1A2
SCHEMBL9840999 1.00 NOS1 (0.82) NOS1NOS3NOS2HSD17B10CYP1A2
Bromide SCHEMBL4732328 0.98 NOS1 (0.78) NOS1NOS3NOS2HSD17B10CYP1A2
Bromide SCHEMBL9841020 0.98 NOS1 (0.78) NOS1NOS3NOS2HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL4031599 0.98 NOS1 (0.78) NOS1NOS3NOS2HSD17B10CYP1A2
Bromide SCHEMBL4785272 0.98 NOS1 (0.78) NOS1NOS3NOS2HSD17B10CYP1A2
SCHEMBL6216529 0.98

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
US-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
US-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
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 NOS1 4294/4885NOS3 4511/4885NOS2 4049/4885

“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.