SCHEMBL5106325

SCHEMBL5106325

NC(=O)CNCCCc1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MYC P01106 1/20 0.41

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
SCHEMBL5106327 0.86 PTGDR2 (0.43) PTGDR2MEN1KMT2AALDH1A1NPC1
SCHEMBL5093297 0.84 CNR1 (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5099947 0.83 KMT2A (0.48) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL5099403 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL5093310 0.82 MAPT (0.50) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL5105826 0.81 CTSK (0.39) ALDH1A1NPC1MAPTLMNARAB9A
SCHEMBL5099880 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL5099863 0.81 LMNA (0.43) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL5099405 0.81 ACLY (0.46) PTGDR2MEN1KMT2AALDH1A1HDAC1
SCHEMBL5099924 0.80 HDAC3 (0.45) KMT2AHDAC6HDAC1

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 PTGDR2 2733/4885MEN1 2522/4885KMT2A 1770/4885

“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.