SCHEMBL874706

SCHEMBL874706

CC(=O)c1nc(C)cc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL882663 0.80 CYP1A2 (0.52) SMN1; SMN2MAPTHTTALDH1A1CYP1A2
SCHEMBL13531338 0.80 HTT (0.48) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL11321959 0.78 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL3633436 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL24027333 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL2469053 0.76 HTT (0.56) MAPTHTTALDH1A1CYP1A2KDM4E
SCHEMBL5762468 0.76 NPC1 (0.50) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL11463095 0.75 CYP1A2 (0.70) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL18943950 0.74 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL16503642 0.74 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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 16 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
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
EP-2638011-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-09-18 EP disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 WO disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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
EP-0623125-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-09 EP disclosed
WO-1993014080-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-22 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 (2 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 SMN1; SMN2 4778/4885NPC1 2400/4885RAB9A 2112/4885
US-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 SMN1; SMN2 4653/4885NPC1 1923/4885RAB9A 2330/4885

“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.