SCHEMBL4172190

SCHEMBL4172190

c1ccc(C(CCCNC2CC2)NCC2CC2CNC(CCCNC2CC2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.44
GRIN2B Q13224 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
GRIN1 Q05586 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
MAN2A1 Q16706 2/20 0.34
MAN1B1 Q9UKM7 2/20 0.34
HTR2C P28335 1/20 0.34
MAN2B1 O00754 1/20 0.34

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
SCHEMBL6014477 0.74 SOS1 (0.50) SOS1GRIN2BSIGMAR1GRIN1ALDH1A1
SCHEMBL3643057 0.71 SOS1 (0.77) SOS1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1808557 0.69 SOS1 (0.82) SOS1GRIN2BSIGMAR1GRIN1ALDH1A1
SCHEMBL10574503 0.66 SOS1 (0.42) SOS1ALDH1A1
SCHEMBL2087751 0.63 SOS1 (0.51) SOS1GRIN2BGRIN1HRH1
SCHEMBL25006478 0.63 GRIN2B (0.78) GRIN2BSIGMAR1GRIN1
SCHEMBL13952024 0.63 SOS1 (0.59) SOS1SIGMAR1ALDH1A1SLC6A2SLC6A4
SCHEMBL25006485 0.62 GRIN2B (0.76) GRIN2BSIGMAR1GRIN1
SCHEMBL3639265 0.62 SOS1 (0.67) SOS1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL27099588 0.62 HTR2C (0.49) SIGMAR1ALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143456-A1 Polyamine Analogs as Modulators of Cell Migration and Cell Motility PROGEN PHARMACEUTICALS, INC. 2009-06-04 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-20090143456-A1 Polyamine Analogs as Modulators of Cell Migration and Cell Motility SRM, MIF, PTGIS SOS1 2530/4885GRIN2B 936/4885SIGMAR1 3216/4885

“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.