SCHEMBL5099372

SCHEMBL5099372

NCCNCC(O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.44
BCHE P06276 1/20 0.41
EPHX1 P07099 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
TRPA1 O75762 1/20 0.40
ADRB2 P07550 3/20 0.40
SRR Q9GZT4 1/20 0.40

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
SCHEMBL4487975 0.84 TSHR (0.48) BCHETRPA1ADRB2
SCHEMBL11922774 0.83 SIGMAR1 (0.49) ANPEPERAP2TRPA1ADRB2
SCHEMBL23636024 0.82 SIGMAR1 (0.51) ANPEPERAP2TRPA1ADRB2
SCHEMBL11229724 0.81 EPHX1 (0.43) MMP2EPHX1
SCHEMBL14015727 0.79 DNM1 (0.57) BCHEANPEP
SCHEMBL5105932 0.79 LOXL2 (0.44) ADRB2
SCHEMBL9317545 0.78 BCHE (0.39) BCHEEPHX1TRPA1ADRB2
SCHEMBL15443077 0.78 SIGMAR1 (0.48) TRPA1
SCHEMBL5099679 0.77 LOXL2 (0.47) MMP2ADRB2
SCHEMBL7115349 0.76 ANPEP (0.48) ANPEPERAP2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449477-B2 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 US disclosed
EP-1689719-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2006-08-16 EP disclosed
WO-2005054202-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2005-06-16 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 (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-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK MMP2 1718/4885BCHE 3474/4885EPHX1 1591/4885

“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.