SCHEMBL5099952

SCHEMBL5099952

NCCNCCCc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
KAT2B Q92831 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 5/20 0.42
CHRM2 P08172 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5099947 0.84 KMT2A (0.48) HSD17B10RAB9ANPC1KMT2AMEN1
SCHEMBL11369484 0.84 HSD17B10 (0.56) HSD17B10KAT2BKMT2AALDH1A1
SCHEMBL5099886 0.83 KAT2B (0.45) KAT2BPOLBCHRM2HTTALDH1A1
SCHEMBL5099870 0.83 KAT2B (0.51) KAT2BPOLBKMT2ACHRM2MEN1
SCHEMBL5106327 0.82 PTGDR2 (0.43) HSD17B10KAT2BRAB9ANPC1POLB
SCHEMBL5099412 0.81 TSHR (0.42) HSD17B10KAT2BNPC1POLBKMT2A
SCHEMBL10860961 0.81 HSD17B10 (0.53) HSD17B10RAB9ANPC1KMT2AMAPT
SCHEMBL5106227 0.81 KAT2B (0.54) KAT2BPOLBKMT2ACHRM2MEN1
SCHEMBL5105804 0.80 POLB (0.57) KAT2BPOLBKMT2ACHRM2MEN1
SCHEMBL5093313 0.80 MAPT (0.52) HSD17B10RAB9ANPC1KMT2AMEN1

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 HSD17B10 2947/4885KAT2B 2748/4885RAB9A 809/4885

“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.