SCHEMBL4292563

SCHEMBL4292563

NCCc1c(C(N)=O)[nH]c2ccc(O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.62
HTR1D P28221 4/20 0.62
CYP1A2 P05177 3/20 0.62
HTR7 P34969 3/20 0.62
HSD17B10 Q99714 3/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
HTR3A P46098 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 2/20 0.59
RAD52 P43351 1/20 0.59
BLM P54132 1/20 0.59
HTR2C P28335 4/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
TSHR P16473 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
SCHEMBL15427985 0.83 HTR6 (0.60) HTR6HTR1DCYP1A2HTR7HSD17B10
SCHEMBL5495499 0.80 HTR6 (0.66) HTR6HTR1DHTR7HTR1AHTR1B
SCHEMBL5066580 0.80 NPSR1 (0.44) HTR6HTR1DCYP1A2HTR7HSD17B10
SCHEMBL29361176 0.77 HTR6 (1.00) HTR6HTR1DCYP1A2HTR7HSD17B10
SCHEMBL399028 0.77 HTR6 (1.00) HTR6HTR1DCYP1A2HTR7HSD17B10
SCHEMBL14481047 0.77 HTR1D (0.62) HTR6HTR1DCYP1A2HTR7HSD17B10
Hydrochloric Acid SCHEMBL5791576 0.76 HTR6 (0.97) HTR6HTR1DCYP1A2HTR7HSD17B10
SCHEMBL4434210 0.75 HTR6 (0.44) HTR6HTR1DCYP1A2HTR7HSD17B10
SCHEMBL26989650 0.75 HTR6 (0.68) HTR6HTR1DCYP1A2HTR7HSD17B10
Fumaric Acid SCHEMBL1320838 0.74 NPSR1 (1.00) HTR6HTR1DCYP1A2HTR7HSD17B10

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-20140228543-A1 MODIFIED AND DERIVATIZED ß-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS MIDCAP FINANCIAL TRUST, AS AGENT 2014-08-14 US disclosed
WO-2012154680-A2 MODIFIED AND DERIVATIZED β-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS BIOTHERA, INC. (US) 2012-11-15 WO disclosed
US-8309576-B2 Method of treating inflammatory bowel disease AJINOMOTO CO., INC. (JP) 2012-11-13 US disclosed
US-8080564-B2 Hemodynamics improving agent AJINOMOTO CO., INC. (JP) 2011-12-20 US disclosed
US-20090156657-A1 ANTI-INFLAMMATORY COMPOSITION AJINOMOTO CO., INC. (JP) 2009-06-18 US disclosed
US-20080171781-A1 HEMODYNAMICS IMPROVING AGENT AJINOMOTO CO., INC. (JP) 2008-07-17 US disclosed
EP-1935419-A1 HEMODYNAMICS IMPROVING AGENT Ajinomoto Co., Inc. (JP) 2008-06-25 EP 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-20140228543-A1 MODIFIED AND DERIVATIZED ß-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS MANBA, ALG1, MAN2A1 HTR6 4375/4885HTR1D 3796/4885CYP1A2 2209/4885
US-20090156657-A1 ANTI-INFLAMMATORY COMPOSITION VCAM1, ICAM1, TPH1 HTR6 11/4885HTR1D 19/4885CYP1A2 1111/4885
US-20080171781-A1 HEMODYNAMICS IMPROVING AGENT TPH1, HTR1A, VASP HTR6 4/4885HTR1D 17/4885CYP1A2 1653/4885

“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.