SCHEMBL4418206

SCHEMBL4418206

C[N]c1ccccc1[N]C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.35
ACHE P22303 2/20 0.35
ALOX12 P18054 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 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
SCHEMBL630878 0.81
SCHEMBL1547450 0.78
SCHEMBL1547816 0.78
SCHEMBL1547384 0.78
SCHEMBL3884382 0.78
SCHEMBL7048511 0.74 ALDH1A1 (0.36) LMNAGAARAB9AKDM4EMEN1
SCHEMBL9196551 0.74 MAPT (0.46) NPC1LMNAGAARAB9AL3MBTL1
SCHEMBL7053823 0.74 SIGMAR1 (0.46) GAAL3MBTL1MAPTTSHRCYP2C9
SCHEMBL6541022 0.74 CASP3 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2A6
SCHEMBL1575877 0.74 CA1 (0.57) NPC1LMNAGAARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069240-A2 BOOTSTRAP SYNTHESIS OF BORANES Los Alamos National Security, LLC (US) 2009-06-17 EP claimed
US-20080175781-A1 Bootstrap synthesis of boranes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-07-24 US claimed
WO-2008039312-A2 BOOTSTRAP SYNTHESIS OF BORANES LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-04-03 WO claimed
EP-2069240-A2 BOOTSTRAP SYNTHESIS OF BORANES Los Alamos National Security, LLC (US) 2009-06-17 EP disclosed
US-20080175781-A1 Bootstrap synthesis of boranes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-07-24 US disclosed
WO-2008039312-A2 BOOTSTRAP SYNTHESIS OF BORANES LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-04-03 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-20080175781-A1 Bootstrap synthesis of boranes BCL2L13, BCL2L11, BCL2L2 NPC1 3812/4885LMNA 1207/4885GAA 4572/4885

“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.