SCHEMBL18926528

SCHEMBL18926528

O=C(OCc1ccccc1)N1CCc2n[nH]c(-c3ccccc3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.51
PTGDR2 Q9Y5Y4 12/20 0.49
TMEM97 Q5BJF2 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
KDR P35968 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL22492335 0.85 DHFR (0.54) DHFRPTGDR2TMEM97SIGMAR1KDR
SCHEMBL17868157 0.80 BRD4 (0.65) PTGDR2TMEM97SIGMAR1
SCHEMBL18926529 0.78 PTGDR2 (0.42) PTGDR2
SCHEMBL23706075 0.78 DHFR (0.58) DHFRTMEM97SIGMAR1KDR
SCHEMBL16220576 0.75 DHFR (0.53) DHFRPTGDR2TMEM97SIGMAR1KDR
SCHEMBL11402131 0.75 BRD4 (0.45) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL22716563 0.74 PTGDR2 (0.42) DHFRPTGDR2TMEM97SIGMAR1KDR
SCHEMBL17327930 0.74 DHFR (0.52) DHFRPTGDR2TMEM97SIGMAR1KDR
SCHEMBL30902147 0.74 PTGDR2 (0.51) DHFRPTGDR2TMEM97SIGMAR1
SCHEMBL16210333 0.74 TMEM97 (0.53) DHFRPTGDR2TMEM97SIGMAR1KDR

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-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 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-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS DHFR 256/4885PTGDR2 1720/4885TMEM97 4157/4885

“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.