SCHEMBL22018759

SCHEMBL22018759

C[C@@H](O)c1ncccc1C(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 3/20 0.49
GAA P10253 1/20 0.48
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL12141974 0.92 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL22019205 0.84 HPGD (0.46) ALDH1A1NPSR1KDM4EHTTLMNA
SCHEMBL12844486 0.83 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL24135776 0.81 ALOX5AP (0.47)
SCHEMBL9631669 0.78 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL855339 0.77 POLB (0.60) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL30073359 0.77 POLB (0.60) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL12844504 0.77 NPSR1 (0.58) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL12775471 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT
SCHEMBL6984881 0.75 GRM4 (0.54) SMN1; SMN2ALDH1A1NPSR1KDM4EMAPT

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-10683285-B2 Modulators of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
US-20200157085-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-21 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-20200157085-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB SMN1; SMN2 1769/4885ALDH1A1 3168/4885NPSR1 4493/4885
US-10683285-B2 Modulators of hemoglobin HBG1, HBG2, HBB SMN1; SMN2 1769/4885ALDH1A1 3168/4885NPSR1 4493/4885

“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.