SCHEMBL4562000

SCHEMBL4562000

COc1cc(C)nc(-c2cccc(CCCON3C(=O)c4ccccc4C3=O)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ALPL P05186 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NR1H3 Q13133 2/20 0.34
NR1H2 P55055 1/20 0.34
TNF P01375 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
FFAR1 O14842 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5020359 0.79 KCNH2 (0.36) FFAR1
SCHEMBL12497305 0.79 TDP1 (0.43) RECQLTDP1GAAALDH1A1FFAR1
SCHEMBL15470593 0.78 RECQL (0.47) RECQLTDP1GAAALDH1A1CYP1A2
SCHEMBL4562043 0.78 GRM5 (0.44) RECQLSMN1; SMN2POLBALPL
SCHEMBL5020478 0.75 NPC1 (0.33) SMN1; SMN2RAB9AFFAR1
SCHEMBL5020447 0.73 CCR1 (0.33) ALDH1A1FFAR1
SCHEMBL15465206 0.73 CCR1 (0.33) ALDH1A1FFAR1
SCHEMBL5020231 0.73 HSP90AA1 (0.36) FFAR1
SCHEMBL877420 0.73 RECQL (0.45) RECQLTDP1GAASMN1; SMN2POLB
SCHEMBL12468167 0.73 RECQL (0.45) RECQLTDP1GAASMN1; SMN2POLB

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-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
EP-2638011-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-09-18 EP disclosed
WO-2012117021-A2 NOVEL MICROBIOCIDAL OXIME ETHERS SYNGENTA PARTICIPATIONS AG (CH) 2012-09-07 WO 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

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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 RECQL 1624/4885TDP1 2490/4885GAA 1009/4885

“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.