SCHEMBL3916740

SCHEMBL3916740

NC(N)=NCCc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.68
HTR3E A5X5Y0 3/20 0.68
HTR3B O95264 3/20 0.68
HTR3D Q70Z44 3/20 0.68
HTR3C Q8WXA8 3/20 0.68
CA2 P00918 3/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA9 Q16790 2/20 0.58
ESR1 P03372 3/20 0.54
ESR2 Q92731 1/20 0.54
ADRA2A P08913 5/20 0.52
SLC6A2 P23975 4/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR1A P08908 1/20 0.52
CYP2C19 P33261 1/20 0.52
BACE1 P56817 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL6679015 0.83 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3916736 0.81 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
[11C]Phenethylguanidine SCHEMBL837645 0.80 HTR3A (0.80) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14763877 0.79 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3925719 0.78 ALOX15 (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4094076 0.77 GRIN2D (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL20681016 0.77 ESR1 (0.65) HTR3ACA2ESR1ESR2ADRA2A
SCHEMBL7381623 0.77 ESR1 (0.65) HTR3ACA2ESR1ESR2ADRA2A
SCHEMBL3926082 0.76 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3929410 0.76 HTR3E (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 US claimed
US-10259781-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-16 US disclosed
US-20170190658-A1 IMAGING AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 US disclosed
CN-106138803-A A kind of pharmaceutical composition treating old dryness of the intestine disease and preparation method thereof 济南星懿医药技术有限公司 2016-11-23 CN disclosed
US-20150246142-A1 IMAGING AGENTS UNIV MICHIGAN (US) 2015-09-03 US disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 US disclosed
US-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 US 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 (4 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-20150246142-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 HTR3A 51/4885HTR3E 77/4885HTR3B 82/4885
US-20060127309-A1 Imaging agents MPI, NPC1, NPC1L1 HTR3A 2660/4885HTR3E 1509/4885HTR3B 1609/4885
US-10259781-B2 Imaging agents SLC18A1, VHL, GDI1 HTR3A 51/4885HTR3E 77/4885HTR3B 82/4885
US-20170190658-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 HTR3A 51/4885HTR3E 77/4885HTR3B 82/4885

“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.