SCHEMBL5065171

SCHEMBL5065171

NC(S)=NCc1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.73
HTR3B O95264 3/20 0.73
HTR3A P46098 3/20 0.73
HTR3D Q70Z44 3/20 0.73
HTR3C Q8WXA8 3/20 0.73
GRIN2B Q13224 12/20 0.65
TAAR1 Q96RJ0 2/20 0.65
GRIN1 Q05586 4/20 0.55
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
PNMT P11086 1/20 0.52
IDO1 P14902 2/20 0.49

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 SCHEMBL4795762 0.98 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL538276 0.83 HTR3E (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL4797259 0.79 GRIN2B (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5064966 0.79 TAAR1 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1230273 0.78 NOS2 (0.67) HTR3AGRIN2BGRIN1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL4799473 0.77 TAAR1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL4801101 0.76 TAAR1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL4003818 0.76 NOS2 (0.64) HTR3AGRIN2BGRIN1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL4800746 0.75 GRIN2B (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL3396687 0.73 IDO1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 3959/4885HTR3B 4128/4885HTR3A 4562/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS HTR3E 3959/4885HTR3B 4128/4885HTR3A 4562/4885

“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.