SCHEMBL21835448

SCHEMBL21835448

Oc1ccc2nc(C3CCCC3)cn2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.45
APP P05067 1/20 0.44
MCHR1 Q99705 3/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALOX5 P09917 2/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GFER P55789 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RCE1 Q9Y256 1/20 0.38
TYR P14679 2/20 0.34
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL21318467 0.80 CLK1 (0.38) APPMCHR1CLK1DYRK1AGFER
SCHEMBL21835435 0.76 APP (0.49) APPALOX5KDM4ENPC1RAB9A
SCHEMBL8414545 0.74 KDM4E (0.48) MIFKDM4ENPC1RAB9AGFER
SCHEMBL22235439 0.71 MCHR1 (0.41) APPMCHR1KDM4ENPC1RAB9A
SCHEMBL1665528 0.71 RAB9A (0.56) APPMCHR1KDM4ENPC1RAB9A
SCHEMBL1500181 0.71 PIK3CG (0.55) APPMCHR1CLK1DYRK1AKDM4E
SCHEMBL5055929 0.71 APP (0.46) APPMCHR1CLK1DYRK1ANPC1
SCHEMBL2257095 0.69 APP (0.73) APPCLK1DYRK1AKDM4ENPC1
SCHEMBL22259100 0.69 MCHR1 (0.48) APPMCHR1KDM4ENPC1RAB9A
SCHEMBL31075171 0.69 MCHR1 (0.51) MCHR1KDM4ENPC1RAB9AALDH1A1

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 MIF 3688/4885APP 3512/4885MCHR1 3244/4885
US-12037334-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 MIF 3688/4885APP 3512/4885MCHR1 3244/4885

“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.