SCHEMBL29636628

SCHEMBL29636628

NCCCNc1cc(-c2cnn(CCN3CCOCC3)c2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 13/20 0.68
SMARCA2 P51531 1/20 0.51
PDE10A Q9Y233 1/20 0.50
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
RAD52 P43351 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC2A1 P11166 1/20 0.47
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL23015374 1.00 ACP1 (0.68) ACP1SMARCA2PDE10AKDM4ENPC1
SCHEMBL23029701 0.93 ACP1 (0.60) ACP1SMARCA2
SCHEMBL29636704 0.82 SLC2A1 (0.56) ACP1SMARCA2SLC2A1
SCHEMBL23015356 0.82 SLC2A1 (0.56) ACP1SMARCA2SLC2A1
SCHEMBL29636661 0.80 ACP1 (0.46) ACP1KDM4ENPC1LMNATP53
SCHEMBL23015286 0.80 ACP1 (0.46) ACP1KDM4ENPC1LMNATP53
SCHEMBL30457841 0.79 ACP1 (1.00) ACP1SMARCA2PDE10ALMNAKMT2A
SCHEMBL17651549 0.79 ACP1 (1.00) ACP1SMARCA2PDE10ALMNAKMT2A
SCHEMBL23029689 0.76 ACP1 (0.50) ACP1SMARCA2SLC2A1
SCHEMBL17688759 0.75 ACP1 (0.73) ACP1SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2022-12-08 US claimed
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP claimed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN 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-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS TARDBP, TDP1, TDP2 ACP1 1840/4885SMARCA2 3292/4885PDE10A 4656/4885

“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.