SCHEMBL6018932

SCHEMBL6018932

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
PDPK1 O15530 1/20 0.34
USP30 Q70CQ3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR1H2 P55055 1/20 0.33
PTGS1 P23219 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL56808 0.86 TTK (0.37) SYKKDM4EPOLBRAB9AALDH1A1
SCHEMBL8723112 0.86 KDM4E (0.34) SYKKDM4EPOLBRAB9AUSP30
SCHEMBL29392374 0.84 SSTR4 (0.34) SYKKDM4EPOLBRAB9ASSTR4
SCHEMBL23620907 0.84 SSTR4 (0.34) SYKKDM4EPOLBRAB9ASSTR4
SCHEMBL2031522 0.83 SYK (0.38) SYKKDM4ERAB9APDPK1USP30
SCHEMBL26826927 0.82 USP30 (0.43) KDM4EPOLBRAB9APDPK1USP30
SCHEMBL19674226 0.82 AOC3 (0.34) SYKKDM4EPOLBRAB9AUSP30
SCHEMBL30676213 0.82 USP30 (0.43) KDM4EPOLBRAB9APDPK1USP30
SCHEMBL2654838 0.81 RAB9A (0.47) SYKKDM4ERAB9APDPK1USP30
SCHEMBL29854904 0.81 RAB9A (0.47) SYKKDM4ERAB9APDPK1USP30

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
WO-2016120808-A1 HETEROARYLAMINOISOQUINOLINES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-08-04 WO disclosed
US-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases BAYER HEALTHCARE AG (DE) 2006-08-17 US disclosed
US-7045544-B2 Substituted 2,5-diamidoindoles as ECE inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2006-05-16 US disclosed
EP-1432415-B1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-12-28 EP disclosed
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2005-02-17 US disclosed
EP-1432415-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2004-06-30 EP disclosed
WO-2003028719-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2003-04-10 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-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases DCK, UROD, QDPR SYK 3274/4885KDM4E 1759/4885POLB 4030/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA SYK 4040/4885KDM4E 67/4885POLB 3892/4885

“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.