SCHEMBL21201802

SCHEMBL21201802

C[C@@H]1COc2cc(C(=O)O)cnc2N1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NNMT P40261 6/20 0.45
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.34
PDE10A Q9Y233 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
RARA P10276 2/20 0.32
RARG P13631 2/20 0.32
RARB P10826 1/20 0.32
POLB P06746 1/20 0.31
SRD5A2 P31213 1/20 0.31

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
SCHEMBL21201833 1.00 NNMT (0.45) NNMTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL21201875 0.82 NNMT (0.34) NNMTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL21201839 0.82 PDE10A (0.36) NNMTALDH1A1MAPK1PDE10AMGAM
SCHEMBL21201876 0.82 PDE10A (0.36) NNMTALDH1A1MAPK1PDE10AMGAM
SCHEMBL21312953 0.82 NNMT (0.34) NNMTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL21201853 0.82 NNMT (0.34) NNMTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL21201859 0.79 MGAM (0.38) ALDH1A1MAPK1MGAMMAPTLTB4R
SCHEMBL21201820 0.79 MGAM (0.38) ALDH1A1MAPK1MGAMMAPTLTB4R
SCHEMBL20797488 0.76 PDE10A (0.35) NNMTPDE10A
SCHEMBL2459207 0.76 PDE10A (0.37) NNMTPDE10A

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-20190263828-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-08-29 US disclosed
US-10364255-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-07-30 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-20190263828-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, UGT2B7 NNMT 2011/4885ALDH1A1 583/4885KDM4E 3374/4885
US-10364255-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, UGT2B7 NNMT 2011/4885ALDH1A1 583/4885KDM4E 3374/4885

“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.