SCHEMBL5099863

SCHEMBL5099863

Cc1cc([N+](=O)[O-])ccc1CCCNCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 3/20 0.42
KAT2B Q92831 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL5106226 0.90 LMNA (0.46) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL5099880 0.88 ALDH1A1 (0.43) LMNAALDH1A1TDP1TSHRMEN1
SCHEMBL5099947 0.85 KMT2A (0.48) LMNAALDH1A1TDP1MEN1MAPT
SCHEMBL5093387 0.84 CA12 (0.51) LMNAALDH1A1TDP1MEN1MAPT
SCHEMBL5099870 0.84 KAT2B (0.51) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL5093310 0.84 MAPT (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL5099403 0.84 ALDH1A1 (0.41) LMNAALDH1A1TDP1TSHRMEN1
SCHEMBL5099585 0.83 ALDH1A1 (0.43) LMNAALDH1A1TDP1TSHRMEN1
SCHEMBL5105799 0.82 ALDH1A1 (0.48) LMNAALDH1A1TDP1TSHRMEN1
SCHEMBL5106325 0.81 PTGDR2 (0.48) LMNAALDH1A1TSHRMEN1MAPT

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 6 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 claimed
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 claimed
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 LMNA 1895/4885ALDH1A1 1956/4885TDP1 1263/4885

“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.