SCHEMBL5099668

SCHEMBL5099668

NC(=O)CNCC(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MMP2 P08253 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IDO1 P14902 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ESR1 P03372 1/20 0.39
CYP19A1 P11511 1/20 0.39
ESR2 Q92731 1/20 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
Hydrochloric Acid SCHEMBL5096877 0.99 LMNA (0.44) LMNAMMP2LOXL2MEN1KMT2A
SCHEMBL5099679 0.82 LOXL2 (0.47) LMNAMMP2LOXL2MEN1KMT2A
Hydrochloric Acid SCHEMBL5096882 0.81 LOXL2 (0.46) LMNAMMP2LOXL2MEN1KMT2A
SCHEMBL27836546 0.79 CHRM2 (0.57) LOXL2MEN1KMT2AIDO1TSHR
SCHEMBL5099370 0.79 SPHK2 (0.46) MMP2NPC1RAB9A
SCHEMBL16722430 0.78 MMP2 (0.48) LMNAMMP2LOXL2MEN1KMT2A
SCHEMBL11584361 0.78 MAPT (0.46) LMNAMMP2LOXL2MEN1KMT2A
SCHEMBL5096908 0.78 NPC1 (0.48) LMNAMMP2MEN1KMT2AALDH1A1
SCHEMBL4095860 0.76 CA2 (0.47) LMNAMMP2LOXL2MEN1KMT2A
SCHEMBL16367410 0.76 TSHR (0.50) LMNALOXL2MEN1KMT2AIDO1

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 LMNA 1895/4885MMP2 1718/4885LOXL2 4723/4885

“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.