SCHEMBL18942223

SCHEMBL18942223

O=C(NC[C@@H]1CO[C@H](CNC(=O)c2cncnc2)[C@H]1O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ BCAT2 O15382 1/20 0.41
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL18941761 0.90 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18942207 0.90 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18941691 0.84 HDAC3 (0.47) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18942297 0.84 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18942222 0.84 KMT2A (0.43) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL18942093 0.82 KMT2A (0.56) HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL18942270 0.81 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2CTSL
SCHEMBL18942284 0.81 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL18942112 0.81 MEN1 (0.43) HPGDNPC1RAB9ASMN1; SMN2ATM
SCHEMBL18942040 0.81 HPGD (0.54) HPGDNPC1RAB9ASMN1; SMN2ATM

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-10023602-B2 Hamamelitannin analogues and uses thereof UNIVERSITEIT GENT (BE) 2018-07-17 — — US disclosed
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF UNIVERSITEIT GENT (BE) 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 (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-10023602-B2 Hamamelitannin analogues and uses thereof PIGS, HAMP, HTT HPGD 190/4885NPC1 3342/4885RAB9A 879/4885
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF PIGS, HAMP, HTT HPGD 190/4885NPC1 3342/4885RAB9A 879/4885

“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.

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