SCHEMBL10273210

SCHEMBL10273210

CO/N=C(\C)c1cccc(CCCO/N=C(\c2ccccc2)c2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.44
TBXAS1 P24557 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRK1 P41145 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HKDC1 Q2TB90 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL10272861 0.94 TBXA2R (0.42) TBXA2RTBXAS1ALDH1A1MAPTHPGD
SCHEMBL16172555 0.94 TBXA2R (0.42) TBXA2RTBXAS1ALDH1A1MAPTHPGD
SCHEMBL10273211 0.94 LMNA (0.40) TBXA2RTBXAS1MAPTKDM4ELMNA
SCHEMBL10273812 0.92 KCNH2 (0.40) TBXA2RTBXAS1ALDH1A1MAPTKDM4E
SCHEMBL10272867 0.89 SMN1; SMN2 (0.47) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL10273021 0.88 TBXA2R (0.40) TBXA2RTBXAS1
SCHEMBL10273213 0.84 LMNA (0.39) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL882653 0.83 TBXA2R (0.38) TBXA2RTBXAS1LMNAHTTL3MBTL1
SCHEMBL10273207 0.83 SMN1; SMN2 (0.38) MAPTKDM4ELMNASMN1; SMN2HTT
SCHEMBL10273208 0.83 CYP3A4 (0.33) TBXA2RTBXAS1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 TBXA2R 1428/4885TBXAS1 1717/4885ALDH1A1 1154/4885

“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.