SCHEMBL5163396

SCHEMBL5163396

Cc1cc(NC(=O)[C@@H](CC(C)C)Nc2cccc(C(=N)N)c2)ccc1N1CCCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.55
PLAU P00749 2/20 0.40
HPN P05981 2/20 0.40
PARP1 P09874 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.37
F3 P13726 1/20 0.37
GAA P10253 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL5164836 0.92 F10 (0.46) F10PARP1KMT2ATSHRGAA
SCHEMBL5165525 0.91 F10 (0.54) F10PLAUHPNPARP1ITGB3
SCHEMBL5164730 0.88 F10 (0.70) F10PLAUHPNITGB3ITGA2B
SCHEMBL5164139 0.88 F10 (0.70) F10PLAUHPNITGB3ITGA2B
SCHEMBL5167877 0.87 F10 (0.69) F10PLAUHPNITGB3ITGA2B
SCHEMBL5165314 0.87 F10 (0.47) F10PARP1GAAPRSS1
SCHEMBL5164505 0.87 F10 (0.47) F10PARP1GAAPRSS1
SCHEMBL5163266 0.85 F10 (0.66) F10PLAUHPNITGB3ITGA2B
SCHEMBL5164085 0.85 F10 (0.47) F10PLAUKMT2APRSS1
SCHEMBL5164572 0.84 F10 (0.77) F10PLAUHPNKMT2ATSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US claimed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP claimed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 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 (2 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A F10 1484/4885PLAU 4730/4885HPN 2359/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 F10 6/4885PLAU 223/4885HPN 773/4885

“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.