SCHEMBL3417282

SCHEMBL3417282

O=C(NCc1ncccn1)c1cc(-c2cccnc2)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.65
RAB9A P51151 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP30 Q70CQ3 1/20 0.48
DGAT2 Q96PD7 1/20 0.48
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3418366 0.81 NAMPT (0.59) NAMPTRAB9AKMT2ASMN1; SMN2USP30
SCHEMBL12467916 0.79 NAMPT (1.00) NAMPTRAB9AKMT2ASMN1; SMN2CYP2C9
SCHEMBL30167781 0.79 NAMPT (1.00) NAMPTRAB9AKMT2ASMN1; SMN2CYP2C9
SCHEMBL30516614 0.76 CYP2E1 (0.55) NAMPTRAB9AKMT2ASMN1; SMN2USP30
SCHEMBL370074 0.76 CYP2E1 (0.55) NAMPTRAB9AKMT2ASMN1; SMN2USP30
SCHEMBL13901829 0.75 NAMPT (0.64) NAMPTRAB9AKMT2ASMN1; SMN2USP30
SCHEMBL23930645 0.74 CYP2A6 (0.54) NAMPTRAB9ASMN1; SMN2USP30CYP2C9
SCHEMBL6872027 0.74 CYP2E1 (0.57) NAMPTRAB9AKMT2ASMN1; SMN2USP30
SCHEMBL30516607 0.74 CYP2E1 (0.57) NAMPTRAB9AKMT2ASMN1; SMN2USP30
SCHEMBL368446 0.74 CYP2C9 (0.54) NAMPTRAB9ASMN1; SMN2USP30CYP2C9

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 400/4885RAB9A 717/4885KMT2A 2260/4885

“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.