SCHEMBL4733366

SCHEMBL4733366

Fc1cc(NC2CCN(c3ncccn3)CC2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.46
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
SCD O00767 2/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL4733745 0.85 KDM4E (0.48) MALT1KDM4EALDH1A1PKMNPC1
SCHEMBL4729979 0.85 MALT1 (0.48) MALT1KDM4EALDH1A1SMN1; SMN2DRD2
SCHEMBL5096292 0.85 ALDH1A1 (0.47) KDM4EALDH1A1NPC1RAB9ADRD2
SCHEMBL4731982 0.84 SCD (0.50) MALT1SCDSMN1; SMN2DRD2DRD3
SCHEMBL4728680 0.81 GRM4 (0.46) MALT1KDM4EALDH1A1TP53NPC1
SCHEMBL4732425 0.81 FPR2 (0.49) KDM4EALDH1A1SCDSMN1; SMN2DRD2
SCHEMBL5102640 0.80 MALT1 (0.49) MALT1KDM4ENPC1TSHRRAB9A
SCHEMBL4732661 0.79 MALT1 (0.48) MALT1KDM4ENPC1TSHRRAB9A
SCHEMBL4731167 0.78 KDM4E (0.46) MALT1KDM4EALDH1A1PKMDRD2
SCHEMBL4729937 0.78 KDM4E (0.44) MALT1KDM4EALDH1A1PKMNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139598-A1 Amine-linked Multicyclic Compounds and Methods of Their Use LEXICON PHARMACEUTICALS, INC. 2008-06-12 US disclosed
WO-2008058064-A1 AMINE-LINKED MULTICYCLIC COMPOUNDS AS INHIBITORS OF THE PROLINE TRANSPORTER LEXICON PHARMACEUTICALS, INC. (US) 2008-05-15 WO 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 (1 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-20080139598-A1 Amine-linked Multicyclic Compounds and Methods of Their Use MAOB, HNMT, MAOA MALT1 3129/4885KDM4E 2225/4885ALDH1A1 287/4885

“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.