SCHEMBL30583227

SCHEMBL30583227

c1cncc(CNc2nc3ccccc3o2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
HSD17B10 Q99714 5/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
LTA4H P09960 1/20 0.53
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 3/20 0.49
POLB P06746 2/20 0.49
PDE5A O76074 2/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL2676462 0.85 ELANE (0.65) ALDH1A1KMT2ASMN1; SMN2NPSR1NPC1
SCHEMBL10370954 0.84 ELANE (0.52) ALDH1A1MAPTSMN1; SMN2NPSR1NPC1
SCHEMBL21814778 0.83 MEN1 (0.51) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL21814733 0.80 RAB9A (0.59) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6090056 0.76 ELANE (0.49) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL30583291 0.75 PCSK9 (0.47) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL7112763 0.75 NPC1 (0.71) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL4466270 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL30426496 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL5021495 0.73 ELANE (0.67) ALDH1A1MAPTSMN1; SMN2NPSR1NPC1

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-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 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-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885HSD17B10 2582/4885MEN1 4691/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885HSD17B10 2582/4885MEN1 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.