SCHEMBL3418366

SCHEMBL3418366

O=C(NCC(F)(F)F)c1cc(-c2cccnc2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.59
GABRA5 P31644 3/20 0.52
USP30 Q70CQ3 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MARK3 P27448 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
DGAT2 Q96PD7 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3417282 0.81 NAMPT (0.65) NAMPTUSP30CYP2C9CYP2C19CYP2E1
SCHEMBL2115530 0.81 RAB9A (0.61) GABRA5L3MBTL1CYP2C19KMT2AMEN1
SCHEMBL30469364 0.77 HTT (0.61) NAMPTGABRA5L3MBTL1KMT2AALDH1A1
SCHEMBL12725690 0.77 HDAC3 (0.63) NAMPTUSP30L3MBTL1CYP2C9CYP2C19
SCHEMBL30516614 0.76 CYP2E1 (0.55) NAMPTUSP30CYP2C9CYP2C19CYP2E1
SCHEMBL370074 0.76 CYP2E1 (0.55) NAMPTUSP30CYP2C9CYP2C19CYP2E1
SCHEMBL362783 0.76 GABRA5 (0.49) NAMPTGABRA5L3MBTL1KMT2AMARK3
SCHEMBL944293 0.75 LOXL2 (0.57) NAMPTGABRA5L3MBTL1MARK3FGFR3
SCHEMBL23930645 0.74 CYP2A6 (0.54) NAMPTUSP30CYP2C9CYP2C19CYP2E1
SCHEMBL6872027 0.74 CYP2E1 (0.57) NAMPTUSP30CYP2C9CYP2C19CYP2E1

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 4 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-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

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 NAMPT 400/4885GABRA5 2009/4885USP30 1716/4885

“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.