SCHEMBL3524950

SCHEMBL3524950

Cc1cn2c(=O)n(CCCBr)c(=O)nc2s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 8/20 0.36
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
THRB P10828 1/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32

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
SCHEMBL3520366 0.73 CA12 (0.44) GRIA2GRIN1GRIN2A
SCHEMBL3533851 0.71 PDE4A (0.30)
SCHEMBL3521483 0.69 TNF (0.35)
SCHEMBL3520233 0.67 CYP1A2 (0.36)
SCHEMBL3786380 0.67 ADORA2A (0.37) ALDH1A1
SCHEMBL3526421 0.66 ADORA3 (0.44) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL3523328 0.65 TSHR (0.32)
SCHEMBL3535275 0.64 TNF (0.33)
SCHEMBL3544704 0.64 ADORA1 (0.30)
SCHEMBL3523287 0.63 ALDH1A1 (0.39) KDM4EALDH1A1HPGDRXFP1

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-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 KDM4E 2348/4885ALDH1A1 1852/4885HPGD 2186/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 KDM4E 2348/4885ALDH1A1 1852/4885HPGD 2186/4885

“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.