SCHEMBL21085352

SCHEMBL21085352

CNc1nnc(C[C@@H](N)C(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
AADAT Q8N5Z0 1/20 0.33

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
SCHEMBL19859560 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL19859558 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL25025338 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2POLBRAB9AMEN1
SCHEMBL21085356 0.76 HPGD (0.49) ALDH1A1POLBHSD17B10HPGD
SCHEMBL21085394 0.76 HPGD (0.49) ALDH1A1POLBHSD17B10HPGD
SCHEMBL21085393 0.76 HPGD (0.49) ALDH1A1POLBHSD17B10HPGD
SCHEMBL19867686 0.73
SCHEMBL3253525 0.72
SCHEMBL19859505 0.71 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL19859503 0.71 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPK1POLBTSHR

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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 ALDH1A1 608/4885SMN1; SMN2 2066/4885MAPK1 4604/4885

“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.