SCHEMBL16401561

SCHEMBL16401561

CN1N=C2c3ccc(Br)cc3OCC2C1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
MDM2 Q00987 1/20 0.39
PDE5A O76074 1/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
PTGS1 P23219 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
HCRTR2 O43614 1/20 0.34
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDH1 O75874 3/20 0.31
CCR6 P51684 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL16401008 0.84 KDM4E (0.52) PTGS2MDM2KDM4ENPC1RAB9A
SCHEMBL16400289 0.71 KDM4E (0.49) PTGS2KDM4ENPC1RAB9APTGS1
SCHEMBL16400155 0.71 KDM4E (0.49) PTGS2KDM4ENPC1RAB9APTGS1
SCHEMBL16409697 0.68 KDM4E (0.46) PTGS2KDM4ENPC1RAB9AALDH1A1
SCHEMBL16401143 0.66 SLC34A1 (0.36) RAB9AALDH1A1MAPT
SCHEMBL16401384 0.63 MDM2 (0.36) MDM2ALDH1A1MAPTIDH1CCR6
SCHEMBL3503340 0.60 PDE5A (0.56) PTGS2PDE5AKDM4ENPC1RAB9A
SCHEMBL16400811 0.60 APP (0.60) KDM4EALDH1A1MAPTMAPK1TDP1
SCHEMBL16400829 0.60 APP (0.60) KDM4EALDH1A1MAPTMAPK1TDP1
SCHEMBL3502525 0.60 PDE5A (0.53) PTGS2PDE5AKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP disclosed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 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 (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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 PTGS2 2930/4885MDM2 1220/4885PDE5A 1861/4885

“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.