SCHEMBL22019205

SCHEMBL22019205

C[C@@H](O)c1ncccc1C(=O)N1CCSCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL22018759 0.84 SMN1; SMN2 (0.51) ALDH1A1KDM4ENPSR1LMNAHTT
SCHEMBL12141974 0.75 SMN1; SMN2 (0.53) ALDH1A1KDM4ENPSR1LMNAHTT
SCHEMBL24135765 0.75 ALDH1A1 (0.42) HPGDALDH1A1KMT2APOLBCYP2C19
SCHEMBL18930367 0.74 HPGD (0.49) HPGDALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL24135783 0.73 ALDH1A1 (0.41) HPGDALDH1A1KMT2APOLBCYP2C19
SCHEMBL25719171 0.73 ALDH1A1 (0.43) HPGDALDH1A1KMT2ACYP2C19KDM4E
SCHEMBL24135918 0.73 KDM4E (0.41) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL24135856 0.72 ALDH1A1 (0.40) HPGDALDH1A1KMT2APOLBCYP2C19
SCHEMBL28304921 0.71 ALDH1A1 (0.56) HPGDALDH1A1KMT2APOLBCYP2C19
SCHEMBL16341717 0.71 PARP1 (0.50) HPGDALDH1A1KDM4EL3MBTL1NPSR1

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-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 (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-20200157085-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB HPGD 648/4885ALDH1A1 3168/4885KMT2A 2407/4885

“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.