SCHEMBL16485993

SCHEMBL16485993

O=C(NC1=C(c2ncc(Cl)cc2Cl)CC1)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PTGES O14684 8/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ GRM4 Q14833 1/20 0.39
▸ PTPRC P08575 1/20 0.39

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
SCHEMBL16513000 0.91 PTGES (0.46) RECQLKDM4EPTGS1KCNK3KCNK9
SCHEMBL16512729 0.85 GRM4 (0.45) KDM4EPTGS1KCNK3KCNK9TP53
SCHEMBL16372428 0.81 KDM4E (0.51) RECQLKDM4EGRM5PTGS1KCNK3
SCHEMBL16371764 0.78 GAA (0.48) RECQLKDM4EGRM5PTGS1KCNK3
SCHEMBL16486751 0.76 LMNA (0.48) PTGS1KCNK3KCNK9TP53LMNA
SCHEMBL16392354 0.72 PTPRC (0.48) RECQLPTGS1KCNK3KCNK9TP53
SCHEMBL16711799 0.70 ALDH1A1 (0.51) KDM4EGRM5LMNAGAAPTGES
SCHEMBL727891 0.70 GLA (0.47) KDM4ETP53LMNAGAAPTGES
SCHEMBL16372308 0.70 LMNA (0.59) RECQLPTGS1KCNK3KCNK9TP53
SCHEMBL16371758 0.70 LMNA (0.55) RECQLKDM4EPTGS1KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 — — US disclosed
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 — — US disclosed
EP-3033330-B1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-19 — — EP disclosed
US-20160176806-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 — — US disclosed
US-20160176806-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 — — US disclosed
US-20160176806-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 — — US disclosed
EP-3033330-A2 NOVEL COMPOUNDS Syngenta Participations AG (CH) 2016-06-22 — — EP disclosed
WO-2015022265-A2 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-02-19 — — WO disclosed
WO-2015022265-A2 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-02-19 — — 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-20160176806-A1 NOVEL COMPOUNDS SGMS1, DDT, CYP1B1 RECQL 3476/4885KDM4E 1588/4885GRM5 3189/4885
US-10207985-B2 Compounds CYP1B1, DDT, CYP1A1 RECQL 3291/4885KDM4E 1903/4885GRM5 2828/4885

“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.

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