SCHEMBL29636709

SCHEMBL29636709

COc1cc2nc(-c3ccc(N4CCNCC4)cc3)cc(NCCCN)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.46
KDR P35968 1/20 0.45
KMT5A Q9NQR1 3/20 0.45
KDM4E B2RXH2 1/20 0.44
APAF1 O14727 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
UBE2N P61088 1/20 0.44
ACP1 P24666 3/20 0.44
STK17A Q9UEE5 2/20 0.43
STK17B O94768 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL23029767 1.00 SYK (0.46) SYKKDRKMT5AKDM4EAPAF1
SCHEMBL23029732 0.91 SYK (0.44) SYKKMT5AKDM4EAPAF1ALDH1A1
SCHEMBL29636802 0.89 KDM1A (0.49) SYKKMT5AACP1
SCHEMBL23015322 0.89 KDM1A (0.49) SYKKMT5AACP1
SCHEMBL23029682 0.84 KDM4E (0.48) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL23029697 0.84 ACP1 (0.55) SYKACP1
SCHEMBL29874547 0.82 SYK (0.62) SYKACP1
SCHEMBL23029741 0.82 SYK (0.62) SYKACP1
SCHEMBL23015179 0.80 EHMT2 (0.48) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL23015099 0.80 EHMT2 (0.48) KDM4EAPAF1ALDH1A1POLBMAPT

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 SYK 4777/4885KDR 4296/4885KMT5A 3532/4885

“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.