SCHEMBL5740016

SCHEMBL5740016

Nc1ccc(C(=O)c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
SARM1 Q6SZW1 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
SIRT6 Q8N6T7 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
SIRT3 Q9NTG7 1/20 0.58
SIRT5 Q9NXA8 1/20 0.58
SIRT4 Q9Y6E7 1/20 0.58
ALDH1A1 P00352 3/20 0.55
APP P05067 1/20 0.55
GAA P10253 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
Chloromethane SCHEMBL27460578 0.95 F7 (0.53) F7F3SARM1SIRT2SIRT6
Alanine SCHEMBL27692428 0.88 ALDH1A1 (0.47) F7F3SARM1SIRT2SIRT6
SCHEMBL29915528 0.86 ALDH1A1 (0.71) F7F3SARM1SIRT2SIRT6
SCHEMBL1242243 0.86 ALDH1A1 (0.71) F7F3SARM1SIRT2SIRT6
SCHEMBL125431 0.84 ALDH1A1 (0.69) F7F3SARM1SIRT2SIRT6
SCHEMBL30706508 0.84 ALDH1A1 (0.69) F7F3SARM1SIRT2SIRT6
Hydrochloric Acid SCHEMBL27841975 0.84 ALDH1A1 (0.68) F7F3SARM1SIRT2SIRT6
SCHEMBL9313117 0.83 ESR1 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL8054770 0.83 ALDH1A1 (0.74) F7F3SARM1SIRT2SIRT6
Methylamine SCHEMBL28758015 0.83 ALDH1A1 (0.62) F7F3SARM1SIRT2SIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660087-A2 QUINOLINONE DERIVATIVES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US disclosed
US-20050113438-A1 Substituted indoles WYETH (US) 2005-05-26 US disclosed
WO-2005009967-A2 QUINOLINONE DERIVATIVES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 WO disclosed
CN-1038413-C Therapeutic amides ZENECA LTD (GB) 1998-05-20 CN disclosed
US-5684198-A N-ARYL-2-HYDROXYPROPANAMIDES IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-11-04 US disclosed
US-5567735-A CELL POTASSIUM CHANNEL MODULATOR FOR TREATING ASTHMA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-22 US disclosed
US-5565477-A TREATMENT OF URINARY INCONTINENCE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-15 US disclosed
US-5565465-A TREATMENT OF URINARY INCONTINENCE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-10-15 US disclosed
EP-0524781-B1 Therapeutic amides ZENECA LTD (GB) 1996-03-27 EP disclosed
US-5474999-A Useful in treatment of urinary incontinence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-12-12 US disclosed
US-5382598-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-17 US disclosed
US-5272163-A Therapeutic amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
EP-0524781-A1 Therapeutic amides ZENECA LIMITED (GB) 1993-01-27 EP 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 F7 454/4885F3 102/4885SARM1 642/4885
US-20050113438-A1 Substituted indoles IDO2, IDO1, INMT F7 4531/4885F3 3093/4885SARM1 1415/4885

“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.