SCHEMBL2115530

SCHEMBL2115530

O=C(NCC(F)(F)F)c1cc(-c2cccnc2)on1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 5/20 0.55
NPC1 O15118 4/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 3/20 0.51
PKM P14618 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
SCD O00767 2/20 0.49

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
SCHEMBL26256409 0.84 RAB9A (0.65) RAB9AKMT2ASMN1; SMN2TP53NPC1
SCHEMBL3413851 0.82 RAB9A (0.62) RAB9AKMT2ASMN1; SMN2TP53NPC1
SCHEMBL362783 0.81 GABRA5 (0.49) RAB9AKMT2ASMN1; SMN2GABRA5L3MBTL1
SCHEMBL3418366 0.81 NAMPT (0.59) RAB9AKMT2ASMN1; SMN2TP53MEN1
SCHEMBL944293 0.80 LOXL2 (0.57) HTTGABRA5L3MBTL1
SCHEMBL17661431 0.80 HDAC6 (0.68) RAB9AKMT2ASMN1; SMN2TP53NPC1
SCHEMBL31039788 0.76 ALDH1A1 (0.70) RAB9AKMT2ASMN1; SMN2TP53NPC1
SCHEMBL369290 0.76 ALDH1A1 (0.70) RAB9AKMT2ASMN1; SMN2TP53NPC1
SCHEMBL4286732 0.75 RAB9A (0.69) RAB9AKMT2ASMN1; SMN2TP53NPC1
SCHEMBL9911612 0.75 MLLT1 (0.67) RAB9AKMT2ASMN1; SMN2TP53NPC1

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-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 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 (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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE RAB9A 717/4885KMT2A 2260/4885SMN1; SMN2 3305/4885

“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.