SCHEMBL874518

SCHEMBL874518

CCOC1=CCCc2cnc(-c3ccccc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
HTR2C P28335 1/20 0.43
SQOR Q9Y6N5 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
EGFR P00533 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 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
SCHEMBL425586 0.86 MAPKAPK2 (0.44) ALDH1A1SMN1; SMN2MAPTLMNAEGFR
SCHEMBL24386071 0.75 MPO (0.31) ALDH1A1MAPT
SCHEMBL427194 0.73 GRM2 (0.39) ALDH1A1SMN1; SMN2MAPTMAPK1GAA
SCHEMBL15073763 0.67 HTR2C (0.39) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL874744 0.66 KMT2A (0.47) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL7261706 0.66 PRSS1 (0.35)
SCHEMBL15073749 0.64 HTR2C (0.38) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL2854246 0.63 CCNT1 (0.65) ALDH1A1HTR2CTNKS2EGFR
SCHEMBL23370552 0.62 KMT2A (0.50) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL14380287 0.62 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1

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 8 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
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
WO-2012117021-A2 NOVEL MICROBIOCIDAL OXIME ETHERS SYNGENTA PARTICIPATIONS AG (CH) 2012-09-07 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO 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 ALDH1A1 1154/4885SMN1; SMN2 4778/4885MAPT 4566/4885

“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.