SCHEMBL40454

SCHEMBL40454

O=C(Cl)c1cccc(Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
CTSA P10619 1/20 0.41
POLB P06746 1/20 0.38
MAPK10 P53779 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 2/20 0.34
GAA P10253 4/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
RECQL P46063 2/20 0.33
TERT O14746 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL321127 0.84 KDM4E (0.59) GRM5ALDH1A1KDM4ETDP1ALOX15
SCHEMBL960010 0.82 ALDH1A1 (0.51) GRM5ALDH1A1HPGDKDM4ETDP1
SCHEMBL4989 0.80 KDM4E (0.70) GRM5ALDH1A1HPGDKDM4ETDP1
SCHEMBL29940784 0.80 KDM4E (0.70) GRM5ALDH1A1HPGDKDM4ETDP1
SCHEMBL13932169 0.80 KDM4E (0.50) GRM5ALDH1A1HPGDKDM4ETDP1
SCHEMBL25307554 0.78 ALDH1A1 (0.49) GRM5ALDH1A1HPGDKDM4ETDP1
SCHEMBL6744 0.78 GRM5 (0.51) GRM5ALDH1A1HPGDKDM4ETDP1
Hydrochloric Acid SCHEMBL4538345 0.78 KDM4E (0.67) GRM5ALDH1A1HPGDKDM4ETDP1
SCHEMBL2825924 0.78 ALDH1A1 (0.49) GRM5ALDH1A1HPGDKDM4ETDP1
SCHEMBL30041316 0.78 GRM5 (0.51) GRM5ALDH1A1HPGDKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109593085-B Pyridine-amide-oxazoline ligand, synthetic method thereof, metal complex thereof and application thereof 温州大学 2021-01-15 CN claimed
CN-109593085-A Pyridine-amide-oxazoline ligand, its synthetic method and its metal complex and purposes 温州大学 2019-04-09 CN claimed
CN-105801592-A Preparation method of podophyllotoxin picolinic formic ether derivative and application of derivative to anti-leukemia drug 遵义医学院 2016-07-27 CN claimed
EP-4551218-A2 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 Dana-Farber Cancer Institute, Inc. (US) 2025-05-14 EP disclosed
US-20240410831-A1 Multi-Mode Zinc-Selective Emission-Ratiometric Fluorescent Probes for Biological Application GEORGIA TECH RESEARCH CORPORATION 2024-12-12 US disclosed
EP-4370512-A1 CD38 MODULATORS AND METHODS OF USE THEREOF Cytokinetics, Inc. (US) 2024-05-22 EP disclosed
WO-2024011116-A2 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-11 WO disclosed
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 US disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 US disclosed
WO-2023288195-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. (US) 2023-01-19 WO disclosed
CN-101023063-A Azine-carboxamides as anti-cancer agents ASTRAZENECA AB (SE) 2007-08-22 CN disclosed
EP-1765790-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006114400-A1 NOVEL OXADIAZOLE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-11-02 WO disclosed
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
US-20060147747-A1 2-[4-(10-naphthalene-2-yl-anthracene-9-yl)-phenyl]-1-phenyl-1H-benzimidazole; elevation of luminance and of efficiency in light emission even under low driving voltage IDEMITSU KOSAN CO., LTD. (JP) 2006-07-06 US disclosed
WO-2006003378-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT ASTRAZENECA AB (SE) 2006-01-12 WO disclosed
EP-1602648-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-12-07 EP disclosed
US-5614634-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5440044-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 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 (4 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-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 GRM5 4272/4885ALDH1A1 2869/4885HPGD 286/4885
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT GRM5 2518/4885ALDH1A1 358/4885HPGD 754/4885
US-11787783-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE GRM5 1116/4885ALDH1A1 1394/4885HPGD 246/4885
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity SYK, BTK, ZAP70 GRM5 1267/4885ALDH1A1 3188/4885HPGD 4126/4885

“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.