SCHEMBL98459

SCHEMBL98459

O=Cc1ccc(-n2cccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
KDM4E B2RXH2 3/20 1.00
MAPK1 P28482 1/20 1.00
NOTUM Q6P988 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
KCNJ1 P48048 1/20 0.50
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC4 P56524 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
CHRM1 P11229 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL11410050 0.84 KDM4E (0.72) ALDH1A1KDM4EMAPK1NOTUMMAPT
SCHEMBL10653293 0.84 KDM4E (0.72) ALDH1A1KDM4EMAPK1NOTUMMAPT
SCHEMBL4341894 0.83 NOTUM (0.78) ALDH1A1KDM4EMAPK1NOTUMMAPT
SCHEMBL19979604 0.82 KDM4E (0.70) ALDH1A1KDM4EMAPK1NOTUMMAPT
SCHEMBL6871245 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPK1NOTUMSMN1; SMN2
SCHEMBL6850578 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPK1NOTUMSMN1; SMN2
SCHEMBL13221930 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPK1NOTUMMAPT
SCHEMBL27566874 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EMAPK1NOTUMSMN1; SMN2
SCHEMBL29957504 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EMAPK1NOTUMMAPT
SCHEMBL1663339 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EMAPK1NOTUMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005619-A Process for producing heterocyclic compound 武田药品工业株式会社 2024-05-10 CN claimed
CN-110753689-B Process for producing heterocyclic compound 武田药品工业株式会社 2024-01-26 CN claimed
CN-117024304-A Preparation method of N ', N' -diaryl hydrazide compound 赣南师范大学 2023-11-10 CN claimed
CN-113511977-B Method for preparing alpha-branched secondary amine compound by adopting photocatalytic multi-component Petasis reaction 哈尔滨工业大学(深圳) 2023-03-31 CN claimed
CN-113511977-A Method for preparing alpha-branched secondary amine compound by adopting photocatalytic multi-component Petasis reaction 哈尔滨工业大学(深圳) 2021-10-19 CN claimed
US-10710989-B2 Method for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-14 US claimed
CN-110753689-A Process for producing heterocyclic compound 武田药品工业株式会社 2020-02-04 CN claimed
US-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 US disclosed
WO-2025095751-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME 현대약품 주식회사 2025-05-08 WO disclosed
CN-119735563-A Thiazolidinones as NLRP3 protein inhibitors 润药仁智(北京)科技有限公司 2025-04-01 CN disclosed
US-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors LEIDOS BIOMEDICAL RESEARCH INC. 2025-01-09 US disclosed
US-20240398783-A1 Compounds and Pharmaceutical Compositions Comprising Inhibitors of Amyloid Peptide Interactions with Glycosaminoglycans, Methods of Treatment and Use Thereof GISMO THERAPEUTICS, INC. 2024-12-05 US disclosed
US-12156871-B2 Substituted azacycles as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2024-12-03 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed
CN-1275123-A Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2000-11-29 CN disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 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 (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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK ALDH1A1 290/4885KDM4E 3207/4885MAPK1 4269/4885
US-20240398783-A1 Compounds and Pharmaceutical Compositions Comprising Inhibitors of Amyloid Peptide Interactions with Glycosaminoglycans, Methods of Treatment and Use Thereof PRNP, GBA1, GBA3 ALDH1A1 3486/4885KDM4E 4729/4885MAPK1 2880/4885
US-12156871-B2 Substituted azacycles as muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM5 ALDH1A1 3002/4885KDM4E 1995/4885MAPK1 509/4885
US-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors TDP1, TDP2, TOP1 ALDH1A1 769/4885KDM4E 1381/4885MAPK1 986/4885
US-10710989-B2 Method for producing heterocyclic compound APP, THOP1, TALDO1 ALDH1A1 318/4885KDM4E 2271/4885MAPK1 1377/4885

“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.