SCHEMBL6748839

SCHEMBL6748839

Cc1ccc(C(=O)O)c(Nc2ccccc2[N+](=O)[O-])c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ASPH Q12797 1/20 0.60
KDM8 Q8N371 1/20 0.60
AKR1C3 P42330 4/20 0.54
AKR1C2 P52895 4/20 0.54
TSHR P16473 1/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP7 P55210 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
MAPT P10636 5/20 0.49
RAB9A P51151 2/20 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
SCHEMBL10515386 0.85 KDM4E (0.62) KDM4EASPHKDM8AKR1C3AKR1C2
SCHEMBL11106473 0.82 AKR1C3 (0.67) AKR1C3AKR1C2MEN1KMT2ATDP1
SCHEMBL13444610 0.81 KDM4E (0.66) KDM4EASPHKDM8AKR1C3AKR1C2
SCHEMBL15255337 0.80 TSHR (0.56) KDM4EASPHKDM8AKR1C3AKR1C2
SCHEMBL13652883 0.77 KCNMA1 (0.57) KDM4EASPHKDM8AKR1C3AKR1C2
SCHEMBL453183 0.77 AKR1C3 (0.68) KDM4EASPHKDM8AKR1C3AKR1C2
SCHEMBL22720165 0.76 KDM4E (0.60) KDM4EASPHKDM8AKR1C3AKR1C2
SCHEMBL6748842 0.76 AKR1C3 (0.53) KDM4EAKR1C3AKR1C2MEN1KMT2A
SCHEMBL7875173 0.75 AKR1C3 (0.59) KDM4EASPHKDM8AKR1C3AKR1C2
SCHEMBL2875877 0.75 KDM4E (1.00) KDM4EASPHKDM8AKR1C3AKR1C2

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 KDM4E 3038/4885ASPH 415/4885KDM8 1920/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 KDM4E 3038/4885ASPH 415/4885KDM8 1920/4885

“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.