SCHEMBL1268310

SCHEMBL1268310

O=C(O)CC1CSC(c2ccccc2O)=N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 9/20 0.69
HTR1D P28221 1/20 0.55
HTR7 P34969 1/20 0.55
HTR3A P46098 1/20 0.55
GABRA1 P14867 3/20 0.49
GABRR1 P24046 3/20 0.49
GABRA5 P31644 3/20 0.49
GABRB2 P47870 3/20 0.49
GABRA4 P48169 3/20 0.49
SLC6A12 P48065 1/20 0.49
SLC6A13 Q9NSD5 1/20 0.49
HTR2C P28335 2/20 0.40
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
AKR1B1 P15121 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1268305 1.00 HTR2B (0.69) HTR2BHTR1DHTR7HTR3AGABRA1
SCHEMBL1266690 0.86 HTR2B (0.66) HTR2BHTR1DHTR7HTR3AGABRA1
SCHEMBL1266688 0.86 HTR2B (0.66) HTR2BHTR1DHTR7HTR3AGABRA1
Aerugine SCHEMBL12468920 0.82 HTR2B (1.00) HTR2BHTR1DHTR7HTR3AHTR2C
Aerugine SCHEMBL29926829 0.82 HTR2B (1.00) HTR2BHTR1DHTR7HTR3AHTR2C
Aerugine SCHEMBL12468918 0.82 HTR2B (1.00) HTR2BHTR1DHTR7HTR3AHTR2C
SCHEMBL26117247 0.78 HTR2B (0.76) HTR2BHTR1DHTR7HTR3AHTR2C
SCHEMBL1686982 0.78 HTR2B (0.76) HTR2BHTR1DHTR7HTR3AHTR2C
SCHEMBL30608416 0.78 HTR2B (0.76) HTR2BHTR1DHTR7HTR3AHTR2C
SCHEMBL1534272 0.78 HTR2B (0.76) HTR2BHTR1DHTR7HTR3AHTR2C

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-7879886-B2 such as N-benzyl-N-hydroxy-2-(3-hydoxypyridin-2-ene)-1,3-thiazolidine-4-carboxamide, used for reducing the population of Plasmodium in a human infested with Plasmodium protozoans and suffering from malaria UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-01 US disclosed
US-20070232664-A1 Iron binding agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 US disclosed
US-7144904-B2 desferrithiocin analogs used as siderophores, for treatment of malaria in humans UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-12-05 US disclosed
US-20050245579-A1 Iron binding agents BERGERON RAYMOND J JR 2005-11-03 US disclosed
US-6864270-B2 Iron binding agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-03-08 US disclosed
EP-1488791-A2 Antimalarial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2004-12-22 EP disclosed
US-20030083349-A1 Iron binding agents UNIVERSITY OF FLORIDA (US) 2003-05-01 US disclosed
EP-1143951-A2 ANTIMALARIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2001-10-17 EP disclosed
WO-2000016763-A2 ANTIMALARIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2000-03-30 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 (3 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-20070232664-A1 Iron binding agents TFRC, SLC40A1, FECH HTR2B 3804/4885HTR1D 4697/4885HTR7 4429/4885
US-20050245579-A1 Iron binding agents TFRC, SLC40A1, FECH HTR2B 3804/4885HTR1D 4697/4885HTR7 4429/4885
US-20030083349-A1 Iron binding agents TFRC, SLC40A1, FECH HTR2B 3804/4885HTR1D 4697/4885HTR7 4429/4885

“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.