SCHEMBL6745563

SCHEMBL6745563

[CH2]CCCCC(=O)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.66
HDAC8 Q9BY41 1/20 0.66
PLOD2 O00469 2/20 0.56
ALDH1A1 P00352 1/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
TBXAS1 P24557 7/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 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
SCHEMBL8572804 0.95 HDAC1 (0.63) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL16703059 0.88 PLOD2 (0.61) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL8545882 0.85 HDAC1 (0.68) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL7075878 0.84 PLOD2 (0.69) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL9549825 0.83 HDAC1 (0.70) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL3380708 0.83 HDAC1 (0.70) HDAC1HDAC8TBXAS1TBXA2RHDAC6
SCHEMBL7449419 0.83 HDAC1 (0.66) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL552357 0.83 HDAC1 (0.66) HDAC1HDAC8PLOD2ALDH1A1TBXAS1
SCHEMBL9010434 0.83 HDAC1 (0.66) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL30096366 0.83 HDAC1 (0.65) HDAC1HDAC8PLOD2ALDH1A1APP

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 9 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-6583138-B1 Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa EISAI CO., LTD. (JP) 2003-06-24 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-1057830-A1 HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed
EP-0889037-A1 NITROGENOUS TRICYCLIC COMPOUNDS AND DRUGS COMPRISING THE SAME Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed
EP-0857721-A1 ACRIDONE COMPOUNDS Eisai Co., Ltd. (JP) 1998-08-12 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 HDAC1 420/4885HDAC8 2746/4885PLOD2 1926/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 HDAC1 420/4885HDAC8 2746/4885PLOD2 1926/4885

“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.