SCHEMBL4666535

SCHEMBL4666535

Cc1nc2c3c(c(C(=O)N4CCC4)cc2n1C)CCC(c1ccccc1)O3

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
RIPK1 Q13546 4/20 0.38
SLC8A1 P32418 4/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SPR P35270 2/20 0.35
HTT P42858 2/20 0.35
PDE10A Q9Y233 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
FASN P49327 1/20 0.33
ATM Q13315 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
SCHEMBL4964984 1.00 RAB9A (0.39) RAB9ARIPK1SLC8A1KMT2AMEN1
SCHEMBL4664623 0.98 RAB9A (0.39) RAB9ARIPK1SLC8A1KMT2AMEN1
SCHEMBL4664869 0.96 MEN1 (0.39) RAB9ARIPK1SLC8A1KMT2AMEN1
SCHEMBL5657872 0.93 PLAUR (0.40) SLC8A1HTTPDE10ASMN1; SMN2POLB
SCHEMBL5508133 0.90 RAB9A (0.35) RAB9ARIPK1SLC8A1
SCHEMBL5508128 0.90 RAB9A (0.35) RAB9ARIPK1SLC8A1
SCHEMBL4664707 0.89 SLC8A1 (0.42) RAB9ASLC8A1SPRATM
SCHEMBL4964550 0.89 HTT (0.38) RIPK1SLC8A1KMT2AMEN1HTT
SCHEMBL4964547 0.89 HTT (0.38) RIPK1SLC8A1KMT2AMEN1HTT
SCHEMBL6019450 0.88 DHODH (0.36) RAB9ASLC8A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US claimed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP 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-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 RAB9A 4475/4885RIPK1 4446/4885SLC8A1 3053/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI RAB9A 2004/4885RIPK1 4185/4885SLC8A1 3552/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 RAB9A 2427/4885RIPK1 4483/4885SLC8A1 4475/4885

“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.