SCHEMBL7559427

SCHEMBL7559427

COC(=O)C1=C(C)N=C(SCc2ccc(OC)cc2)N(C(=O)N(O)CCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.47
ADRA1A P35348 10/20 0.47
ADRA1B P35368 10/20 0.47
ADRA2A P08913 4/20 0.47
ADRA2B P18089 4/20 0.47
ADRA2C P18825 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.39
CCR5 P51681 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 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
SCHEMBL6218391 0.90 ADRA1A (0.54) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL8659585 0.87 ADRA1A (0.48) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6786820 0.87 ADRA1D (0.46) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6715257 0.80 MCHR1 (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6243274 0.77 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6793160 0.77 ADRA1A (0.52) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6194820 0.77 MAPT (0.47) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL7529263 0.76 MCHR1 (0.46) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6269746 0.76 ADRA1A (0.60) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6782745 0.76 ADRA1A (0.52) ADRA1DADRA1AADRA1BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1D 3/4885ADRA1A 4/4885ADRA1B 9/4885

“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.