SCHEMBL21883932

SCHEMBL21883932

CC(=O)c1ccccc1C(=O)NCCN

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
MAOB P27338 2/20 0.49
NQO2 P16083 1/20 0.47
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HCRTR1 O43613 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3861140 0.91 TSHR (0.60) TSHRHTTMAOBNQO2HPGD
SCHEMBL9887618 0.84 ALDH1A1 (0.56) TSHRHTTHDAC3HDAC1HPGD
SCHEMBL11230535 0.84 HPGD (0.64) TSHRHTTHDAC3HPGDSMN1; SMN2
SCHEMBL8652703 0.84 TSHR (0.53) TSHRHTTMAOBNQO2HPGD
SCHEMBL23661975 0.82 TSHR (0.56) TSHRHTTHDAC3HDAC1HPGD
SCHEMBL24333936 0.81 TSHR (0.51) TSHRHTTMAOBNQO2HPGD
SCHEMBL11418358 0.80 HTT (0.58) TSHRHTTMAOBHPGDHCRTR1
SCHEMBL890994 0.80 ALDH1A1 (0.62) TSHRHTTHDAC3HDAC1MAOB
SCHEMBL1659899 0.80 HTT (0.61) TSHRHTTMAOBHPGDSMN1; SMN2
SCHEMBL12462425 0.80 NPC1 (0.68) HDAC3HDAC1HPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011396-A1 RELEASABLE CONJUGATES QuiaPEG Pharmaceuticals AB (SE) 2022-06-15 EP disclosed
US-20220118055-A1 RELEASABLE GLP-1 CONJUGATES FISH & RICHARDSON PC 2022-04-21 US disclosed
EP-3592393-B1 RELEASABLE CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2021-12-01 EP disclosed
WO-2020053815-A1 RELEASABLE GLP-1 CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2020-03-19 WO 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-20220118055-A1 RELEASABLE GLP-1 CONJUGATES GLP1R, GIPR, IAPP TSHR 181/4885HTT 692/4885HDAC3 2093/4885

“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.