SCHEMBL1708233

SCHEMBL1708233

O=C(Cl)c1ncc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
POLB P06746 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TSHR P16473 1/20 0.31
PLAU P00749 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
EGFR P00533 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14782157 0.77 NAPRT (0.41) ALDH1A1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL361106 0.77 KDM4E (0.52) ALDH1A1KDM4EPOLBHCAR2NAPRT
SCHEMBL4852706 0.75 APLNR (0.36) ALDH1A1NPC1RAB9AHCAR2NAPRT
SCHEMBL1403879 0.75 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL1855352 0.75 KDM4E (0.40) ALDH1A1KDM4ESIRT6KMT2ATSHR
SCHEMBL28556517 0.75 KDM4E (0.31) ALDH1A1KDM4EKMT2APLAUHTT
Methane SCHEMBL26985795 0.73 KDM4E (0.39) ALDH1A1KDM4ESIRT6KMT2ATSHR
SCHEMBL17224134 0.71 GSK3B (0.45) ALDH1A1KDM4ERAB9ATSHR
SCHEMBL17394923 0.71 PLAU (0.32) KMT2AMEN1PLAU
SCHEMBL17394924 0.71 PLAU (0.32) KMT2AMEN1PLAU

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551560-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR Huyabio International, LLC (US) 2025-05-14 EP disclosed
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
WO-2024054602-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
WO-2024054602-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
WO-2023177591-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC (US) 2023-09-21 WO disclosed
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
US-7638527-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-12-29 US disclosed
US-7638527-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-12-29 US disclosed
US-7598261-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-10-06 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 US disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 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 (3 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-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR WDR5, WDR1, WDR3 ALDH1A1 3110/4885KDM4E 202/4885ATM 2121/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A ALDH1A1 1162/4885KDM4E 2250/4885ATM 2583/4885
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885KDM4E 4218/4885ATM 4539/4885

“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.