SCHEMBL17705752

SCHEMBL17705752

N=NNc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.67
OPRK1 P41145 1/20 0.67
POLB P06746 2/20 0.42
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 3/20 0.33
TP53 P04637 1/20 0.31

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
SCHEMBL15782771 0.88 MEN1 (0.49) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29128950 0.82 MAPT (0.79) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29392989 0.82 MAPT (1.00) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL105428 0.82 MAPT (1.00) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL29426418 0.82 MAPT (1.00) MAPTMEN1KMT2AKDM4ESMN1; SMN2
Ammonia Solution, Strong SCHEMBL2046821 0.80 MEN1 (0.96) MAPTMEN1KMT2AKDM4ESMN1; SMN2
Ammonia Solution, Strong SCHEMBL7052845 0.80 MEN1 (0.96) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7050425 0.80 MAPT (0.73) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL17819277 0.78 MAPT (0.92) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL31537252 0.78 MAPT (0.92) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-04-28 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-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 MAPT 3385/4885MEN1 2774/4885KMT2A 267/4885

“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.