SCHEMBL5480950

SCHEMBL5480950

O=C=NCCc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
TAAR1 Q96RJ0 3/20 0.48
IDO1 P14902 3/20 0.42
PNMT P11086 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
AOC3 Q16853 1/20 0.42
KCNH2 Q12809 1/20 0.42
DAO P14920 3/20 0.40
PYCR1 P32322 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTBP2 P56545 1/20 0.39
HIF1A Q16665 1/20 0.37
GABRA1 P14867 1/20 0.37

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
SCHEMBL111243 0.86 MIF (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29846915 0.86 MIF (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18263455 0.85 TAAR1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6961980 0.81 MIF (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL325486 0.80 IDO1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1852165 0.78 TAAR1 (0.47) TAAR1HIF1AGABRA1GABRB2
SCHEMBL1847891 0.78 IDO1 (0.46) IDO1DAOPYCR1
SCHEMBL28850568 0.78 DPP4 (0.46) HIF1A
SCHEMBL1845576 0.77 TAAR1 (0.48) TAAR1IDO1PYCR1HIF1AGABRA1
SCHEMBL11253674 0.77 TAAR1 (0.48) TAAR1DAOCTBP2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102170883-A Compounds useful as inhibitors of protein kinases ABBOTT LAB 2011-08-31 CN disclosed
US-20070275967-A1 Pyrazolinols BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-29 US disclosed
CN-1894218-A Pyrazolines as insecticides BAYER CROPSCIENCE AG (DE) 2007-01-10 CN disclosed
EP-1697328-A1 PYRAZOLINOLS USED AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-09-06 EP disclosed
WO-2005058838-A1 PYRAZOLINOLS USED AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-30 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 (1 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-20070275967-A1 Pyrazolinols RRS1, RECQL, PNISR HTR3E 3541/4885HTR3B 3098/4885HTR3A 2586/4885

“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.