SCHEMBL21858046

SCHEMBL21858046

O=C(NCCc1cnc[nH]1)c1cccc(C(=O)NCCc2cnc[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.67
KMT2A Q03164 3/20 0.66
NAMPT P43490 3/20 0.64
QPCT Q16769 1/20 0.60
QPCTL Q9NXS2 1/20 0.60
MYC P01106 1/20 0.60
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 1/20 0.57
BRD4 O60885 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54

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
SCHEMBL19303133 0.90 KMT2A (0.67) CYP3A4KMT2ANAMPTQPCTQPCTL
SCHEMBL21857890 0.88 CYP3A4 (0.70) CYP3A4KMT2ANAMPTQPCTQPCTL
SCHEMBL5553234 0.86 KMT2A (0.63) CYP3A4KMT2ANAMPTQPCTQPCTL
SCHEMBL1394015 0.82 NAMPT (0.70) CYP3A4KMT2ANAMPTQPCTQPCTL
SCHEMBL14348428 0.80 NAMPT (0.57) CYP3A4KMT2ANAMPTMYCMEN1
SCHEMBL14082282 0.79 CYP3A4 (0.61) CYP3A4KMT2ANAMPTQPCTQPCTL
SCHEMBL13403403 0.79 KMT2A (0.61) CYP3A4KMT2ANAMPTQPCTQPCTL
SCHEMBL7567011 0.79 QPCT (0.71) CYP3A4KMT2AQPCTQPCTLCYP2D6
SCHEMBL14082584 0.78 NAMPT (0.59) CYP3A4KMT2ANAMPTQPCTQPCTL
SCHEMBL14348404 0.78 ABL1 (0.59) CYP3A4KMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087285-A1 NOVEL GLUTAMINYL CYCLASE INHIBITORS AND THE USE THEREOF IN TREATMENT OF VARIOUS DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2020-03-19 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-20200087285-A1 NOVEL GLUTAMINYL CYCLASE INHIBITORS AND THE USE THEREOF IN TREATMENT OF VARIOUS DISEASES GLS, GLS2, QPCT CYP3A4 3414/4885KMT2A 3142/4885NAMPT 2964/4885

“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.