SCHEMBL5328707

SCHEMBL5328707

[CH2]c1cc(-c2ccccc2)n(CCC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SLC5A1 P13866 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
CNR1 P21554 3/20 0.40
CNR2 P34972 1/20 0.39
NR1H3 Q13133 1/20 0.39
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC9A1 P19634 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5328840 0.90 SMPD1 (0.52) SMPD1SLC5A1TSHRMEN1MAPT
SCHEMBL5328712 0.81 NPC1 (0.53) SMPD1ALDH1A1SLC5A1TSHRMEN1
SCHEMBL11541209 0.81 ALDH1A1 (0.55) SMPD1ALDH1A1SLC5A1TSHRMEN1
SCHEMBL23400225 0.80 SMPD1 (0.48) SMPD1ALDH1A1SLC5A1TSHRMEN1
SCHEMBL8375341 0.80 SMPD1 (0.45) SMPD1ALDH1A1SLC5A1TSHRMEN1
SCHEMBL5325270 0.79 NR1H2 (0.47) SMPD1ALDH1A1MAPTCNR1CNR2
SCHEMBL3757964 0.77 DDB1 (0.43) ALDH1A1MAPTKMT2ANR1H3NPC1
SCHEMBL17279859 0.75 ALDH1A1 (0.49) SMPD1ALDH1A1SLC5A1TSHRMEN1
SCHEMBL11540187 0.72 SMPD1 (0.53) SMPD1ALDH1A1TSHRMEN1MAPT
SCHEMBL5328846 0.72 NR1H3 (0.55) SMPD1TSHRMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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 (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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 SMPD1 46/4885ALDH1A1 2972/4885SLC5A1 2931/4885

“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.