SCHEMBL6693280

SCHEMBL6693280

CC(C)CNCCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
PKM P14618 1/20 0.38
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.35
ANPEP P15144 2/20 0.34
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ERAP2 Q6P179 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL6698423 0.98 HRH4 (0.42) HRH4HRH3PKMHTTATM
SCHEMBL18232436 0.98 HRH4 (0.42) HRH4HRH3PKMHTTATM
SCHEMBL6692244 0.92
SCHEMBL9624660 0.87 HRH4 (0.47) HRH4HRH3PKMEPHX1ANPEP
SCHEMBL24379824 0.84 HRH4 (0.48) HRH4HRH3PKMEPHX1ANPEP
SCHEMBL5298781 0.84 HRH4 (0.48) HRH4HRH3PKMEPHX1ANPEP
SCHEMBL2483497 0.84 HRH4 (0.48) HRH4HRH3PKMEPHX1ANPEP
SCHEMBL20996688 0.83 KMT2A (0.41) PKMHTTATMNPSR1ANPEP
SCHEMBL605994 0.81
SCHEMBL9494047 0.81 KMT2A (0.41) PKMANPEPCA2CA1CA12

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004533516-A 2004-11-04 JP claimed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US claimed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP claimed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO claimed
US-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2022-04-28 US disclosed
US-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2022-04-28 US disclosed
EP-3921313-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2021-12-15 EP disclosed
CN-113423702-A N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use in the treatment of disease 诺华股份有限公司 2021-09-21 CN disclosed
WO-2020161623-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2020-08-13 WO disclosed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US disclosed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP disclosed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO disclosed
US-4452710-A AMINE SALTS OF CARBOXYLIC ACID TERMINATED AMIDES CINCINNATI MILACRON INC. (US) 1984-06-05 US disclosed
US-4383937-A Aqueous functional fluid compositions CINCINNATI MILACRON INC. (US) 1983-05-17 US disclosed
US-4379063-A Novel functional fluid CINCINNATI MILACRON INC. (US) 1983-04-05 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 (1 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-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, P2RY1, P2RX5 HRH4 530/4885HRH3 2237/4885PKM 371/4885

“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.