SCHEMBL5068041

SCHEMBL5068041

NC(S)=NCc1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.66
GRIN2B Q13224 5/20 0.57
GRIN1 Q05586 4/20 0.57
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
PKM P14618 1/20 0.50
IDO1 P14902 5/20 0.48
PNMT P11086 1/20 0.48
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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 SCHEMBL4797248 0.98 TAAR1 (0.64) TAAR1GRIN2BGRIN1HTR3EHTR3B
SCHEMBL4023670 0.86 TAAR1 (0.73) TAAR1GRIN2BGRIN1HTR3EHTR3B
SCHEMBL11588057 0.83 TAAR1 (0.59) TAAR1GRIN2BGRIN1HTR3EHTR3B
SCHEMBL2952026 0.78 TAAR1 (0.45) TAAR1GRIN2BGRIN1IDO1LMNA
Hydrochloric Acid SCHEMBL7334784 0.77 IDO1 (0.44) TAAR1GRIN2BGRIN1IDO1
Hydrochloric Acid SCHEMBL3396687 0.76 IDO1 (0.50) TAAR1GRIN2BGRIN1HTR3EHTR3B
SCHEMBL9474594 0.74 TAAR1 (0.54) TAAR1GRIN2BGRIN1HTR3EHTR3B
SCHEMBL1230273 0.72 NOS2 (0.67) GRIN2BGRIN1HTR3A
SCHEMBL7979449 0.72 GRIN2B (1.00) TAAR1GRIN2BGRIN1HTR3EHTR3B
Thiourea SCHEMBL16584825 0.72 PNMT (0.72) TAAR1GRIN2BGRIN1HTR3EHTR3B

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 6 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-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
EP-1962892-A2 INHIBITION OF CELL PROLIFERATION University of South Florida (US) 2008-09-03 EP 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 TAAR1 4545/4885GRIN2B 4105/4885GRIN1 2853/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS TAAR1 4545/4885GRIN2B 4105/4885GRIN1 2853/4885

“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.