SCHEMBL4664616

SCHEMBL4664616

Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CCC(c1ccccc1)O3

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.36
RAB9A P51151 1/20 0.34
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
BRD4 O60885 3/20 0.33
SLC8A1 P32418 6/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
DHODH Q02127 1/20 0.31
HSD11B1 P28845 2/20 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
SCHEMBL4662902 1.00 RIPK1 (0.36) RIPK1RAB9AATP4AATP4BBRD4
SCHEMBL4663156 1.00 RIPK1 (0.36) RIPK1RAB9AATP4AATP4BBRD4
SCHEMBL2689410 0.92 NPC1 (0.31) RAB9A
SCHEMBL4964561 0.91 HRH3 (0.34) RIPK1BRD4KDM4E
SCHEMBL4961323 0.91 HTR7 (0.31) SLC8A1KDM4E
SCHEMBL6020045 0.90 DHODH (0.36) RAB9AATP4AATP4BSLC8A1DHODH
SCHEMBL4663178 0.90 DHODH (0.36) RAB9AATP4AATP4BSLC8A1DHODH
SCHEMBL6019450 0.90 DHODH (0.36) RAB9AATP4AATP4BSLC8A1DHODH
Hydrochloric Acid SCHEMBL5102503 0.90 HRH3 (0.33) KDM4E
Hydrochloric Acid SCHEMBL5116944 0.90 HTR7 (0.31) SLC8A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
EP-1863820-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES Nycomed GmbH (DE) 2007-12-12 EP disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
WO-2006100255-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES NYCOMED GMBH (DE) 2006-09-28 WO disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO 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 (2 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR RIPK1 4446/4885RAB9A 4475/4885ATP4A 417/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI RIPK1 4185/4885RAB9A 2004/4885ATP4A 120/4885

“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.