SCHEMBL4173553

SCHEMBL4173553

CN(C)c1ccc(NCCn2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.60
KMT2A Q03164 1/20 0.44
SOD1 P00441 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PRKCI P41743 1/20 0.42
TBXAS1 P24557 3/20 0.41
ALOX15 P16050 1/20 0.40
CYP19A1 P11511 1/20 0.40
CACNA1B Q00975 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL18457438 0.81 QPCT (0.56) QPCTSOD1TBXAS1CYP19A1CACNA1B
SCHEMBL25039563 0.79 KMT2A (0.58) QPCTKMT2ASOD1PRKCINPC1
SCHEMBL77450 0.75 QPCT (1.00) QPCTKMT2AMAOAMAOB
SCHEMBL20280709 0.75 QPCT (0.52) QPCTKMT2ASOD1NPC1RAB9A
SCHEMBL10852247 0.75 TBXAS1 (0.62) QPCTKMT2ATBXAS1NPC1
SCHEMBL27827572 0.75 QPCT (0.49) QPCTKMT2APRKCITBXAS1ALOX15
SCHEMBL8447325 0.74 QPCT (0.58) QPCTKMT2ASOD1PRKCITBXAS1
Hydrochloric Acid SCHEMBL10852436 0.74 TBXAS1 (0.63) QPCTKMT2ATBXAS1NPC1
SCHEMBL13164564 0.74 CYP1A2 (0.56) QPCTKMT2ANPC1RAB9AATM
SCHEMBL4173548 0.72 QPCT (0.56) QPCTKMT2ATBXAS1RAB9A

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-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 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-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK QPCT 3071/4885KMT2A 2643/4885SOD1 3535/4885

“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.