SCHEMBL16401563

SCHEMBL16401563

Cn1nc2c(c1-c1ccc(OC(F)(F)F)cc1)CCc1cc(C=O)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
S1PR1 P21453 2/20 0.36
TDP2 O95551 1/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
SLC34A1 Q06495 3/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
MGLL Q99685 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL16409693 0.85 HTR2A (0.35) KDM4EHRH3HTR2CHTR2AHTR2B
SCHEMBL16400968 0.82 ALDH1A1 (0.37) KDM4EHTR2CHTR2AHTR2BTDP2
SCHEMBL19315684 0.82 S1PR1 (0.41) HRH3HTR2CHTR2AHTR2BS1PR1
SCHEMBL16401663 0.79 IP6K1 (0.43) KDM4ES1PR1
SCHEMBL16400145 0.78 HRH3 (0.34) KDM4EHRH3S1PR1PIM1PIM2
SCHEMBL16400173 0.77 CYP1A2 (0.48) KDM4ES1PR1MAPT
SCHEMBL16401142 0.76 MAPT (0.34) HTR2AMAPT
SCHEMBL16401145 0.76 LMNA (0.43) MAPT
SCHEMBL16401144 0.76 LMNA (0.43) MAPT
SCHEMBL16400911 0.74 HTR2A (0.38) KDM4EHRH3HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
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-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US 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
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 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
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 KDM4E 3731/4885HRH3 85/4885HTR2C 1913/4885

“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.