SCHEMBL8739445

SCHEMBL8739445

COC(=O)CCNc1ccc(SSc2ccc(N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 3/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA1 P00915 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4824629 0.91 SMN1; SMN2 (0.54) SMN1; SMN2POLBMAPTRAB9AKMT2A
SCHEMBL8738077 0.87 PPIB (0.45) SMN1; SMN2POLBMAPTRAB9ATDP1
SCHEMBL21186140 0.86 SMN1; SMN2 (0.50) SMN1; SMN2POLBMAPTRAB9AKMT2A
SCHEMBL10100136 0.85 RAB9A (0.42) SMN1; SMN2POLBMAPTRAB9AKMT2A
SCHEMBL16601930 0.82 RAB9A (0.39) POLBMAPTRAB9AKMT2AMEN1
SCHEMBL4828253 0.81 ALDH1A1 (0.47) SMN1; SMN2POLBMAPTRAB9AKMT2A
SCHEMBL4828263 0.79 KDM4E (0.54) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL4824465 0.77 TOP2A (0.49) SMN1; SMN2POLBMAPTRAB9AKMT2A
SCHEMBL16142224 0.76 APP (0.41) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL13948407 0.76 MAPT (0.57) SMN1; SMN2POLBMAPTKMT2AMEN1

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
US-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed
US-20140294909-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-02 US disclosed
US-20140294909-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-02 US disclosed
US-20120128782-A1 Multicomponent Degradable Cationic Polymers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-24 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-20120128782-A1 Multicomponent Degradable Cationic Polymers PEF1, FIBP, PARN SMN1; SMN2 289/4885POLB 116/4885MAPT 4140/4885
US-20140294909-A1 NANOCOMPOSITES OF GOLD AND POLYMERS HNRNPL, HNRNPLL, ACSL3 SMN1; SMN2 1897/4885POLB 433/4885MAPT 856/4885

“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.