SCHEMBL5099612

SCHEMBL5099612

NCCNCCCc1ccc(Cl)cc1N1CCS(=O)(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
F12 P00748 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
F7 P08709 2/20 0.34
PRSS3 P35030 2/20 0.34
MC4R P32245 4/20 0.33
SIGMAR1 Q99720 2/20 0.33
POLB P06746 2/20 0.32
NAAA Q02083 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL5099602 0.86 TPH1 (0.34) F2F10F12PRSS1PRSS2
SCHEMBL5099978 0.86 ALDH1A1 (0.42) ALDH1A1SIGMAR1POLBLMNA
SCHEMBL5093305 0.85 POLB (0.48) ALDH1A1MC4RPOLBLMNA
SCHEMBL5093253 0.83 HTR3A (0.45) ALDH1A1SIGMAR1
SCHEMBL5105811 0.75 ALDH1A1 (0.39) ALDH1A1MC4RLMNA
SCHEMBL5099968 0.74 TPH1 (0.41) ALDH1A1POLBLMNA
SCHEMBL5099392 0.72 SIGMAR1 (0.47) ALDH1A1SIGMAR1CNR1
SCHEMBL7293003 0.71 SMN1; SMN2 (0.45) ALDH1A1SIGMAR1POLBLMNA
SCHEMBL5096945 0.71 PLA2G7 (0.43) ALDH1A1POLBLMNA
SCHEMBL5093247 0.71 HTR3A (0.41) SIGMAR1LMNA

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 ALDH1A1 1956/4885F2 4673/4885F10 4572/4885

“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.