SCHEMBL5099602

SCHEMBL5099602

NC(=O)CNCCCc1ccc(Cl)cc1N1CCS(=O)(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.34
NAAA Q02083 1/20 0.33
GRM5 P41594 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 2/20 0.32
ABHD6 Q9BV23 2/20 0.32
PLA2G7 Q13093 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
HDAC1 Q13547 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F12 P00748 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32

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
SCHEMBL5099968 0.89 TPH1 (0.41) TPH1MGLLABHD6PLA2G7
SCHEMBL5093298 0.88 POLB (0.43) MAPTL3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL5099612 0.86 ALDH1A1 (0.36) NAAAGRM5MC4RF2F10
SCHEMBL5093247 0.86 HTR3A (0.41) TP53HTR1ADRD2HTR2AHTR7
SCHEMBL5096945 0.86 PLA2G7 (0.43) MAPTL3MBTL1MGLLABHD6PLA2G7
SCHEMBL5105809 0.79 XIAP (0.41) MAPTMC4R
SCHEMBL5099387 0.76 CNR1 (0.48) PLA2G1BATG4B
SCHEMBL5699010 0.75 TNKS (0.33) NAAAMAPTPLA2G1BATG4BHDAC1
SCHEMBL5093211 0.74 MAOA (0.41) HDAC1
SCHEMBL5099978 0.73 ALDH1A1 (0.42) TPH1MAPTL3MBTL1MGLLABHD6

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 2 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

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 TPH1 4203/4885NAAA 812/4885GRM5 3051/4885

“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.