SCHEMBL445070

SCHEMBL445070

c1snnc1-c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
NOTUM Q6P988 1/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 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
SCHEMBL8693938 0.68
SCHEMBL101638 0.68
SCHEMBL11204445 0.67 ALDH1A1 (0.39) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL22206279 0.66
SCHEMBL6260959 0.66
SCHEMBL5838655 0.66
SCHEMBL12075530 0.65 MEN1 (0.36) KMT2ARAB9AMEN1SMN1; SMN2POLB
SCHEMBL14820155 0.64 HTR1A (0.31)
SCHEMBL12598652 0.64 CCR1 (0.37) KMT2ARAB9AMEN1SMN1; SMN2POLB
SCHEMBL12598648 0.64 CCR1 (0.37) KMT2ARAB9AMEN1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902401-B Receptor inhibitors, pharmaceutical compositions comprising the same and uses thereof 北京泰德制药股份有限公司 2023-06-13 CN claimed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US claimed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 US claimed
US-3957984-A ANTIBACTERIAL, ANTIBIOTICS SMITHKLINE CORPORATION (US) 1976-05-18 US claimed
JP-51125398-A None JP disclosed
EP-4373836-A1 COMPOUNDS AND COMPOSITIONS FOR TARGETED THERAPY OF RENAL DISEASES Shanghai MicuRx Pharmaceutical Co., Ltd. (CN) 2024-05-29 EP disclosed
CN-117693517-A Novel compounds and compositions for targeted treatment of renal cancer 上海盟科药业股份有限公司 2024-03-12 CN disclosed
CN-117642419-A Compounds and compositions for targeted treatment of kidney disease 上海盟科药业股份有限公司 2024-03-01 CN disclosed
WO-2023116734-A1 FUSED PYRROLIDINE COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF RESPIRATORY VIRAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-06-29 WO disclosed
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 US disclosed
WO-2023001224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TARGETED THERAPY OF RENAL CANCERS SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-01-26 WO disclosed
WO-2023001223-A1 COMPOUNDS AND COMPOSITIONS FOR TARGETED THERAPY OF RENAL DISEASES SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-01-26 WO disclosed
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity PYSTYNEN JARMO (FI) 2003-10-02 US disclosed
WO-2003066631-A1 ANTIMICROBIAL THIADIAZINONE DERIVATIVES USEFUL IN TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-08-14 WO disclosed
EP-1301503-A1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-04-16 EP disclosed
US-6344209-B1 BIODEGRADABLE POLYLACTIC ACID, POLYGLYCOLIC ACID AND COPOLYMERS OF THE TWO FOR BONE DISEASES THERAPY; ANTIBIOTICS, ANTI-INFLAMMATORY AND ANTI-TUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-05 US disclosed
WO-2002002548-A1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-01-10 WO disclosed
EP-1028946-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
JP-S51125398-A A PROCESS FOR PREPARING 7-SUBSTITUTED ALKANAMIDE-3-SUBSTITUTED THIOMET HYL-3-CEPHEM-4-CARBOXYLIC ACIDS FUJISAWA PHARMACEUT CO LTD 1976-11-01 JP 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-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3C, HTR3A KMT2A 1869/4885RAB9A 1847/4885MEN1 2734/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A KMT2A 1221/4885RAB9A 2004/4885MEN1 4387/4885
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 KMT2A 2987/4885RAB9A 1341/4885MEN1 3772/4885
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS KMT2A 2683/4885RAB9A 490/4885MEN1 1008/4885

“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.