SCHEMBL6745540

SCHEMBL6745540

Cc1ccc2c(c1C)N(CCBr)c1ccccc1S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 3/20 0.47
HIF1A Q16665 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
KDM1A O60341 5/20 0.44
SLC22A1 O15245 2/20 0.42
PRNP P04156 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
HTR1A P08908 2/20 0.42
CHRM5 P08912 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD2 P14416 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CHRM3 P20309 2/20 0.42

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
SCHEMBL6744931 0.92 CYP2D6 (0.48) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL6748650 0.86 CYP2D6 (0.44) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL6751588 0.83 PIM1 (0.60) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL6748831 0.83 CYP2D6 (0.48) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL6748693 0.81 MEN1 (0.47) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL29947142 0.79 KDM1A (0.59) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL6746804 0.79 HDAC3 (0.46) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL4781993 0.79 CYP2D6 (0.46) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL16892119 0.79 MAOA (0.60) CYP2D6CYP2C19CYP1A2HIF1AKDM4E
SCHEMBL6749822 0.76 KDM1A (0.49) CYP2D6CYP2C19CYP1A2HIF1AKDM4E

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 CYP2D6 83/4885CYP2C19 48/4885CYP1A2 63/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 CYP2D6 83/4885CYP2C19 48/4885CYP1A2 63/4885

“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.