SCHEMBL6748820

SCHEMBL6748820

Cc1ccc2c(c1C)N(CCNCc1ccccc1)c1ccccc1[S+]2[O-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN8A Q9UQD0 1/20 0.34
MAOA P21397 1/20 0.33
ACHE P22303 4/20 0.33
CHRM2 P08172 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6746830 0.93 ACHE (0.39) DPP7MEN1KMT2ATDP1SCN8A
SCHEMBL6744792 0.84 TK1 (0.40) DPP7
SCHEMBL6751558 0.83 SIGMAR1 (0.36) GAASIGMAR1
SCHEMBL6751602 0.79 CA12 (0.43) MEN1KMT2ACHRM2GAAMAPT
SCHEMBL6751559 0.78 MC4R (0.44) MEN1KMT2ACHRM2SIGMAR1LMNA
SCHEMBL6746847 0.77 HTR2A (0.41) TDP1
SCHEMBL8342160 0.76 ALDH1A1 (0.42) KDM4ELMNASMN1; SMN2
SCHEMBL7227853 0.74 SCN8A (0.35) MEN1KMT2ASCN8AMAOAACHE
SCHEMBL6746868 0.74 DRD2 (0.39) MEN1KMT2ACHRM2
SCHEMBL7222807 0.73 SCN8A (0.36) MEN1KMT2ASCN8AACHEGAA

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 DPP7 1956/4885MEN1 2589/4885KMT2A 2438/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 DPP7 1956/4885MEN1 2589/4885KMT2A 2438/4885

“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.