SCHEMBL329496

SCHEMBL329496

[S]c1cc2ccccc2nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 3/20 0.50
GLA P06280 2/20 0.50
ACHE P22303 1/20 0.50
NQO2 P16083 2/20 0.42
GPR3 P46089 2/20 0.40
CYP1A2 P05177 1/20 0.39
PDPK1 O15530 1/20 0.38
GAA P10253 2/20 0.38
HTR3A P46098 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
STAT3 P40763 1/20 0.38
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5483645 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL31115164 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL11173734 0.73 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL30248459 0.73 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL2617034 0.71 KDM4E (0.55) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL241706 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL5245198 0.71 KDM4E (0.55) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL2014207 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTGLA
Hydrochloric Acid SCHEMBL21979894 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL2781561 0.71 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
EP-3927427-B1 LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME NIMMUNE BIOPHARMA INC (US) 2024-02-07 EP disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed
EP-4225315-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING INFLAMMATORY OR IMMUNE-MEDIATED CONDITIONS OF SURFACE TISSUES Nimmune Biopharma, Inc. (US) 2023-08-16 EP disclosed
EP-4214200-A1 LANCL LIGANDS Nimmune Biopharma, Inc. (US) 2023-07-26 EP disclosed
US-20230192652-A1 PLXDC2 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-22 US disclosed
EP-4196475-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-21 EP disclosed
US-20230167083-A1 LANCL LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-01 US disclosed
US-20230128450-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-04-27 US disclosed
EP-1932839-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-06-18 EP disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
EP-1916245-A1 INDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-30 EP disclosed
EP-1911759-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-16 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP 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 (5 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-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 KDM4E 4410/4885ALDH1A1 4043/4885HPGD 3819/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 KDM4E 3011/4885ALDH1A1 1336/4885HPGD 3323/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 KDM4E 855/4885ALDH1A1 1391/4885HPGD 1479/4885
US-20230167083-A1 LANCL LIGANDS LANCL2, LANCL1, LCLAT1 KDM4E 3554/4885ALDH1A1 4156/4885HPGD 4822/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 KDM4E 3914/4885ALDH1A1 3872/4885HPGD 4779/4885

“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.