SCHEMBL335190

SCHEMBL335190

NCCN1CCc2ccccc2C1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
HTR7 P34969 7/20 0.55
HTR1A P08908 3/20 0.54
DRD3 P35462 3/20 0.54
HTR2A P28223 2/20 0.54
HTR2B P41595 2/20 0.54
DRD2 P14416 1/20 0.54
HTR2C P28335 1/20 0.54
HRH1 P35367 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PNMT P11086 1/20 0.53

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
SCHEMBL29760081 1.00 KDM4E (0.58) KDM4EALDH1A1HDAC3HDAC1HDAC8
Hydrochloric Acid SCHEMBL7220026 0.98 KDM4E (0.57) KDM4EALDH1A1HDAC3HDAC1HDAC8
SCHEMBL2795026 0.89 HTR7 (0.63) KDM4EALDH1A1HDAC3HDAC1HDAC8
SCHEMBL4229926 0.87 HTR7 (0.64) HDAC3HDAC1HDAC8NCOR2HTR7
Hydrochloric Acid SCHEMBL31687556 0.87 HTR7 (0.61) HTR7HTR1ADRD3HTR2AHTR2B
Hydrochloric Acid SCHEMBL4255618 0.87 HTR7 (0.61) HTR7HTR1ADRD3HTR2AHTR2B
Hydrochloric Acid SCHEMBL7982174 0.87 HTR7 (0.61) HTR7HTR1ADRD3HTR2AHTR2B
Hydrochloric Acid SCHEMBL4222983 0.86 HTR7 (0.62) HDAC3HDAC1HDAC8NCOR2HTR7
SCHEMBL4225899 0.86 HTR7 (0.62) HDAC3HDAC1HDAC8NCOR2HTR7
Hydrochloric Acid SCHEMBL4224319 0.86 HTR7 (0.62) HDAC3HDAC1HDAC8NCOR2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197694-A1 MODIFIED PROTEINS AND PROTEIN BINDERS CULLGEN (SHANGHAI), INC. (CN) 2024-06-20 US disclosed
US-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2024-04-04 US disclosed
CN-117642397-A Modified proteins and protein binders 上海睿跃生物科技有限公司 2024-03-01 CN disclosed
US-11807622-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-11-07 US disclosed
US-11807622-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-11-07 US disclosed
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
CN-116768855-A Aromatic amino acid compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2023-09-19 CN disclosed
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
EP-4188919-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS Etat Français représenté par la Direction Centrale Du Service de Santé des Armées (FR) 2023-06-07 EP disclosed
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LIMITED (CN) 2023-04-20 US disclosed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 WO disclosed
EP-0732333-B1 Indazolecarboxamides LILLY CO ELI (US) 2001-08-01 EP disclosed
US-5817676-A 5-HT4 RECEPTOR ANTAGONISTS, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1998-10-06 US disclosed
US-5798367-A ANTAGONIZE 5-HYDROXYTRYPTAMINE RECEPTOR IN GASTROINTESTINAL TRACT OR GENITOURINARY TRACT ELI LILLY AND COMPANY (US) 1998-08-25 US disclosed
US-5654320-A SEROTONIN RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
WO-1996033713-A1 INDAZOLECARBOXAMIDES ELI LILLY AND COMPANY (US) 1996-10-31 WO disclosed
EP-0732333-A1 Indazolecarboxamides ELI LILLY AND COMPANY (US) 1996-09-18 EP disclosed
US-5294621-A Thieno tetrahydropyridines useful as class III antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-03-15 US disclosed
US-4197243-A ANTIPSYCHOTICS, STRONG CNS DEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-08 US disclosed
US-4097487-A CNS DEPRESSANTS, ANTIPSYCHOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 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-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS BCHE, ACHE, CHAT KDM4E 1130/4885ALDH1A1 239/4885HDAC3 1127/4885
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION FTH1, FECH, HCCS KDM4E 2150/4885ALDH1A1 938/4885HDAC3 138/4885
US-20240197694-A1 MODIFIED PROTEINS AND PROTEIN BINDERS DCAF1, DDB1, CUL4A KDM4E 1056/4885ALDH1A1 2985/4885HDAC3 801/4885
US-11807622-B2 TLR 9 inhibitors TLR9, TLR1, TLR7 KDM4E 943/4885ALDH1A1 4348/4885HDAC3 558/4885
US-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS PDGFRA, PDGFRB, ABL1 KDM4E 2700/4885ALDH1A1 916/4885HDAC3 1161/4885

“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.