SCHEMBL21835232

SCHEMBL21835232

CCCCc1nc2cc(O)ccn2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TYR P14679 2/20 0.39
CYP3A4 P08684 3/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.35
PDE10A Q9Y233 2/20 0.35
TP53 P04637 1/20 0.34
ALOX5 P09917 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL21835405 0.79 ADORA3 (0.38) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL21835404 0.77 TYR (0.37) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL7147342 0.72 PDE10A (0.46) KDM4EALDH1A1SMN1; SMN2CYP3A4LMNA
SCHEMBL31257450 0.72 AHR (0.34) KDM4EALDH1A1GAAMAPTPDE10A
SCHEMBL24222029 0.71 AOC3 (0.44)
SCHEMBL21835396 0.71 TYR (0.40) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL21835387 0.70 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL7533737 0.69 ALDH1A1 (0.45) KDM4EALDH1A1KMT2ACYP3A4PDE10A
SCHEMBL20641321 0.68 PIK3CG (0.44)
SCHEMBL31456654 0.68 AHR (0.41)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037334-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-07-16 US disclosed
US-12037334-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-07-16 US disclosed
US-12037334-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-07-16 US disclosed
US-20220024915-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2022-01-27 US disclosed
US-20220024915-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2022-01-27 US disclosed
EP-3856194-A2 INHIBITORS OF VAP-1 Acucela, Inc. (US) 2021-08-04 EP disclosed
CN-113164489-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN disclosed
WO-2020069335-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 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 (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-20220024915-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 KDM4E 3383/4885ALDH1A1 869/4885MEN1 4691/4885
US-12037334-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 KDM4E 3383/4885ALDH1A1 869/4885MEN1 4691/4885

“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.