SCHEMBL14355158

SCHEMBL14355158

N=C(N)SCc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
IDO1 P14902 5/20 0.50
NOS1 P29475 2/20 0.50
NOS3 P29474 1/20 0.50
NOS2 P35228 1/20 0.50
HTT P42858 4/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
TAAR1 Q96RJ0 2/20 0.44
SLC11A2 P49281 1/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
CYP2C9 P11712 1/20 0.41
TP53 P04637 1/20 0.41

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
Hydrochloric Acid SCHEMBL11177964 0.98 LMNA (0.55) LMNAIDO1NOS1NOS3NOS2
SCHEMBL15457400 0.83 CYP1A2 (0.46) CYP1A2KDM4ECYSLTR2CYSLTR1CYP2C9
SCHEMBL10704703 0.80 CYP1A2 (0.43) CYP1A2KDM4ECYSLTR2CYSLTR1CYP2C9
SCHEMBL2813631 0.78 LMNA (0.62) LMNAIDO1NOS1NOS3NOS2
Bromide SCHEMBL2811541 0.77 LMNA (0.61) LMNAIDO1NOS1NOS3NOS2
SCHEMBL728065 0.77 CYP1A2 (0.54) LMNAHTTHPGDSMN1; SMN2CYP1A2
SCHEMBL2877991 0.76 CYSLTR1 (0.52) NOS2CYP1A2KDM4ECYSLTR2CYSLTR1
SCHEMBL20932737 0.75 IDO1 (0.57) LMNAIDO1NOS1NOS3NOS2
Bromide SCHEMBL30130182 0.74 IDO1 (0.58) LMNAIDO1NOS1NOS3NOS2
SCHEMBL23844622 0.73 CYP1A2 (0.52) NOS2CYP1A2KDM4ECYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 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 (2 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-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS LMNA 4361/4885IDO1 4187/4885NOS1 3526/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS LMNA 4361/4885IDO1 4187/4885NOS1 3526/4885

“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.