SCHEMBL5328840

SCHEMBL5328840

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.52
NR1H3 Q13133 1/20 0.50
CNR1 P21554 3/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
CNR2 P34972 1/20 0.43
SLC5A1 P13866 1/20 0.41
HSD11B1 P28845 2/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR2 Q13324 1/20 0.41
HSF1 Q00613 1/20 0.40
SLC9A1 P19634 1/20 0.40

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
SCHEMBL5328707 0.90 SMPD1 (0.45) SMPD1NR1H3CNR1TSHRMEN1
SCHEMBL5324716 0.83 KDM4E (0.40) SMPD1NR1H3CNR1MEN1KMT2A
SCHEMBL5328846 0.83 NR1H3 (0.55) SMPD1NR1H3CNR1TSHRMEN1
SCHEMBL11540187 0.83 SMPD1 (0.53) SMPD1NR1H3CNR1TSHRMEN1
SCHEMBL23401343 0.81 SMPD1 (0.55) SMPD1NR1H3CNR1TSHRMEN1
SCHEMBL5325270 0.76 NR1H2 (0.47) SMPD1CNR1MAPTCNR2
SCHEMBL3757964 0.74 DDB1 (0.43) NR1H3CYP1A2KMT2AMAPT
SCHEMBL5328712 0.72 NPC1 (0.53) SMPD1NR1H3TSHRMEN1CYP1A2
SCHEMBL11541209 0.72 ALDH1A1 (0.55) SMPD1TSHRMEN1KMT2AMAPT
SCHEMBL5966771 0.72 SMPD1 (0.52) SMPD1NR1H3CNR1TSHRMEN1

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 46/4885NR1H3 4062/4885CNR1 3561/4885

“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.