SCHEMBL18942222

SCHEMBL18942222

O=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccncn2)[C@H]1O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ P2RX7 Q99572 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TBXA2R P21731 2/20 0.35

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
SCHEMBL18942093 0.88 KMT2A (0.56) KMT2AHPGDPOLBMAPTSMN1; SMN2
SCHEMBL18941761 0.85 HPGD (0.51) KMT2AP2RX7HPGDSMN1; SMN2NPC1
SCHEMBL18942207 0.85 HPGD (0.51) KMT2AP2RX7HPGDSMN1; SMN2NPC1
SCHEMBL18942297 0.84 HPGD (0.43) KMT2AP2RX7HPGDPOLBMAPT
SCHEMBL18942223 0.84 HPGD (0.43) HPGDSMN1; SMN2NPC1RAB9ASLC6A2
SCHEMBL18942058 0.82 P2RX7 (0.41) KMT2AP2RX7HPGDPOLBMAPT
SCHEMBL18941691 0.80 HDAC3 (0.47) KMT2AHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL18942295 0.80 SLC6A2 (0.40) KMT2AP2RX7HPGDSMN1; SMN2NPC1
SCHEMBL17426857 0.79 KMT2A (0.41) KMT2APKMHTTGFERP2RX7
SCHEMBL18942105 0.78 HPGD (0.43) P2RX7HPGDPOLBSMN1; SMN2NPC1

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 KMT2A 3256/4885PKM 4620/4885HTT 3/4885
US-20170158727-A1 HAMAMELITANNIN ANALOGUES AND USES THEREOF PIGS, HAMP, HTT KMT2A 3256/4885PKM 4620/4885HTT 3/4885

“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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