SCHEMBL5650842

SCHEMBL5650842

O=C(NN1CCCC(CNCc2ccc3c(c2)OCCO3)C1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 7/20 0.42
TSHR P16473 4/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CXCR4 P61073 1/20 0.41
HTT P42858 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HPGD P15428 3/20 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
SCHEMBL13145817 0.85 ALDH1A1 (0.47) NPY5RKDM4EALDH1A1TSHRRAB9A
SCHEMBL5649796 0.83 ALDH1A1 (0.44) ALDH1A1TSHRRAB9AMAPTNPC1
SCHEMBL3687148 0.79 NPY5R (0.47) NPY5RKDM4EALDH1A1TSHRRAB9A
SCHEMBL5649053 0.77 CTSL (0.46) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL5652216 0.76 CTSL (0.46) ALDH1A1TSHRSMN1; SMN2
SCHEMBL5650627 0.74 PRMT5 (0.50) KDM4EMAPTKMT2ADRD2
SCHEMBL3689303 0.73 KDM4E (0.49) NPY5RKDM4EALDH1A1POLBMEN1
SCHEMBL14514796 0.72 HTR6 (0.49) NPY5RKDM4EALDH1A1TP53POLB
SCHEMBL6647588 0.72 DPP4 (0.50) ALDH1A1TSHRMEN1KMT2A
SCHEMBL13145833 0.71 SMN1; SMN2 (0.47) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2

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-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 NPY5R 3841/4885KDM4E 3555/4885ALDH1A1 2434/4885

“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.