SCHEMBL5065168

SCHEMBL5065168

N=C(S)NCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
CHRM2 P08172 1/20 0.50
F7 P08709 1/20 0.49
LMNA P02545 1/20 0.49
PLA2G1B P04054 1/20 0.49
HPGD P15428 1/20 0.49
MAOB P27338 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 1/20 0.48
RAB9A P51151 1/20 0.48
CYP19A1 P11511 1/20 0.47
IDO1 P14902 2/20 0.47

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 SCHEMBL4795760 0.98 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2811627 0.87 ALDH1A1 (0.52) LMNAHPGDMAPTALOX12CYP19A1
Bromide SCHEMBL2811699 0.85 ALDH1A1 (0.50) LMNAHPGDMAPTALOX12CYP19A1
SCHEMBL13134026 0.82 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL538275 0.81 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL4797254 0.79 TACR1 (0.41) MAPTCYP19A1IDO1
SCHEMBL16216174 0.79 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16218953 0.79 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4588413 0.79 PLA2G1B (0.56) PLA2G1BATG4BNPC1RAB9A
SCHEMBL5064965 0.77 MEN1 (0.59) HPGDNPC1MAPTALOX12RAB9A

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.