SCHEMBL30583291

SCHEMBL30583291

FC(F)(F)c1ccc(CNc2nc3ccccc3o2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 5/20 0.47
CETP P11597 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ELANE P08246 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3CA P42336 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL21815058 0.83 APP (0.40) KDM1AMAOAMAOBPIK3CA
SCHEMBL2676462 0.76 ELANE (0.65) ELANENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30583227 0.75 ALDH1A1 (0.59) ELANENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21815135 0.74 AOC3 (0.43) MAOAMAOB
SCHEMBL21814904 0.74 AOC3 (0.43) MAOAMAOB
SCHEMBL21814899 0.74 AOC3 (0.43) MAOAMAOB
SCHEMBL30530543 0.74 KDM1A (0.56) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL19899614 0.73 RAB9A (0.52) PCSK9CETPNPC1RAB9ASMN1; SMN2
SCHEMBL10370954 0.73 ELANE (0.52) ELANENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21567336 0.71 APP (0.64) MEN1KMT2A

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 PCSK9 1097/4885CETP 3130/4885KDM1A 1314/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 PCSK9 1097/4885CETP 3130/4885KDM1A 1314/4885

“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.