SCHEMBL21814747

SCHEMBL21814747

CCCNC(=S)Nc1ccc(OC)cc1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 5/20 0.52
ALDH1A1 P00352 5/20 0.51
ALOX12 P18054 6/20 0.51
HTT P42858 5/20 0.51
MAPT P10636 3/20 0.51
RECQL P46063 1/20 0.51
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
QPCT Q16769 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5454882 0.83 ALDH1A1 (0.69) HPGDGAASMN1; SMN2ALDH1A1ALOX12
SCHEMBL10855864 0.79 IDO1 (0.47) HPGDGAASMN1; SMN2LMNAALDH1A1
SCHEMBL27761093 0.77 SMN1; SMN2 (0.55) HPGDGAASMN1; SMN2LMNAALDH1A1
SCHEMBL4348984 0.75 SMN1; SMN2 (0.50) HPGDSMN1; SMN2LMNAHTTRECQL
SCHEMBL30356287 0.75 ALDH1A1 (0.51) HPGDGAASMN1; SMN2ALDH1A1ALOX12
SCHEMBL5695271 0.74 ALDH1A1 (0.72) HPGDGAASMN1; SMN2LMNAALDH1A1
SCHEMBL11770005 0.74 KMT2A (0.69) HPGDGAASMN1; SMN2LMNAALDH1A1
SCHEMBL3683226 0.73 ALDH1A1 (0.58) HPGDGAASMN1; SMN2ALDH1A1HTT
SCHEMBL6819357 0.72 ALDH1A1 (0.56) HPGDGAASMN1; SMN2LMNAALDH1A1
SCHEMBL21815078 0.72 GAA (0.47) HPGDGAASMN1; SMN2LMNAALOX12

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 10 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-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
EP-3856176-A2 INHIBITORS OF VAP-1 Acucela Inc. (US) 2021-08-04 EP disclosed
CN-113164454-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN disclosed
WO-2020069330-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 (4 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 HPGD 4011/4885GAA 1133/4885SMN1; SMN2 2418/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 HPGD 4011/4885GAA 1133/4885SMN1; SMN2 2418/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 HPGD 4011/4885GAA 1133/4885SMN1; SMN2 2418/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 HPGD 4011/4885GAA 1133/4885SMN1; SMN2 2418/4885

“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.