SCHEMBL6748690

SCHEMBL6748690

C=[C]CC(=O)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.59
ALDH1A1 P00352 4/20 0.53
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
PLOD3 O60568 1/20 0.53
PLOD1 Q02809 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL9502043 0.84 PLOD2 (0.61) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL137583 0.82 PLOD2 (0.59) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL3983065 0.79 PLOD2 (0.65) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL10320930 0.79 PLOD2 (0.89) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL29554726 0.79 PLOD2 (0.89) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL7075878 0.79 PLOD2 (0.69) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL6440012 0.77 PLOD2 (0.67) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL16703059 0.76 PLOD2 (0.61) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL6399084 0.76 PLOD2 (0.65) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL3829645 0.76 PLOD2 (0.65) PLOD2ALDH1A1APPGAAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703388-B2 DIBENZODIAZEPINE DERIVATIVES; ANTIHISTAMINES, LEUKOTRIENE INHIBITORS, ANTIALLERGENS, ANTIASTHMATICS; HAY FEVER, ATOPIC DERMATITIS, AND URTICARIA TREATMENT EISAI CO., LTD. (JP) 2004-03-09 US disclosed
US-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same EISAI CO., LTD. 2003-09-11 US disclosed
US-6489336-B2 PHENOTHIAZINE, ACRIDAN, ACRIDONE OXIME, ACRIDONE HYDRAZONE, OR DIBENZODIAZEPINE DERIVATIVES; TYROSINE KINASE INHIBITORS; TREATING ALLERGIC DISEASES EISAI CO., LTD. (JP) 2002-12-03 US disclosed
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same EISAI CO., LTD. 2002-08-01 US disclosed
US-6333322-B1 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, URTICARIA, HAY FEVER, GASTROINTESTINAL ALLERGY AND FOOD ALLERGY EISAI CO., LTD. (JP) 2001-12-25 US disclosed
EP-0889037-A1 NITROGENOUS TRICYCLIC COMPOUNDS AND DRUGS COMPRISING THE SAME Eisai Co., Ltd. (JP) 1999-01-07 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-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 PLOD2 1926/4885ALDH1A1 149/4885APP 2393/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 PLOD2 1926/4885ALDH1A1 149/4885APP 2393/4885

“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.