SCHEMBL5099387

SCHEMBL5099387

NC(=O)CNCCCc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
HPGD P15428 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
ACLY P53396 1/20 0.44
P2RX7 Q99572 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL31439249 0.91 PLA2G1B (0.55) CNR1PLA2G1BATG4BTAAR1HPGD
SCHEMBL5093211 0.86 MAOA (0.41) CNR1MEN1KMT2ATDP1
SCHEMBL17594208 0.84 CA12 (0.45) HPGDMEN1KMT2AALDH1A1POLB
SCHEMBL5099405 0.84 ACLY (0.46) CNR1PLA2G1BATG4BHPGDPLAAT3
SCHEMBL5099947 0.81 KMT2A (0.48) MEN1KMT2ATDP1ALDH1A1
SCHEMBL5099392 0.80 SIGMAR1 (0.47) CNR1TAAR1HPGDPLAAT3PLAAT5
SCHEMBL10900027 0.80 ACLY (0.56) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5099968 0.79 TPH1 (0.41) MEN1KMT2AALDH1A1POLB
SCHEMBL5405695 0.77 TAAR1 (0.59) CNR1PLA2G1BATG4BTAAR1HPGD
SCHEMBL5099485 0.77 CTSK (0.54) CNR1HPGDP2RX7

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 CNR1 4564/4885PLA2G1B 2216/4885ATG4B 2809/4885

“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.