SCHEMBL5099679

SCHEMBL5099679

NCCNCC(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
CHRM2 P08172 1/20 0.47
MMP2 P08253 3/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TSHR P16473 1/20 0.41
MC4R P32245 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
IDO1 P14902 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
Hydrochloric Acid SCHEMBL5096882 0.99 LOXL2 (0.46) LOXL2CHRM2MMP2LMNAADRB2
SCHEMBL8829958 0.85 LOXL2 (0.50) LOXL2CHRM2MMP2LMNATSHR
SCHEMBL4104161 0.84 LOXL2 (0.49) LOXL2CHRM2MMP2LMNATSHR
SCHEMBL4092879 0.84 LOXL2 (0.49) LOXL2CHRM2MMP2LMNATSHR
SCHEMBL6523856 0.84 LOXL2 (0.49) LOXL2CHRM2MMP2LMNATSHR
Hydrochloric Acid SCHEMBL2511527 0.83 LOXL2 (0.47) LOXL2CHRM2MMP2LMNAMC4R
Hydrochloric Acid SCHEMBL2511528 0.83 LOXL2 (0.47) LOXL2CHRM2MMP2LMNAMC4R
SCHEMBL28541344 0.83 LOXL2 (0.47) LOXL2CHRM2MMP2LMNATSHR
SCHEMBL5099668 0.82 LMNA (0.45) LOXL2MMP2LMNAADRB2ADRB1
Hydrochloric Acid SCHEMBL5096877 0.81 LMNA (0.44) LOXL2MMP2LMNAADRB2ADRB1

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 LOXL2 4723/4885CHRM2 4878/4885MMP2 1718/4885

“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.