SCHEMBL17856110

SCHEMBL17856110

NC(=S)Nc1ccc(Br)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
TYR P14679 1/20 0.36
TSHR P16473 1/20 0.36
TAS2R38 P59533 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
ALOX12 P18054 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL30521352 1.00 L3MBTL1 (0.53) L3MBTL1KIF11ALDH1A1TP53TYR
SCHEMBL17609984 0.84 L3MBTL1 (0.49) L3MBTL1KIF11ALDH1A1TP53TYR
SCHEMBL30521404 0.83 L3MBTL1 (0.67) L3MBTL1ALDH1A1TP53TYRTSHR
SCHEMBL21712227 0.83 L3MBTL1 (0.67) L3MBTL1ALDH1A1TP53TYRTSHR
SCHEMBL25242607 0.81 L3MBTL1 (0.48) L3MBTL1KIF11ALDH1A1TP53TYR
SCHEMBL30521251 0.81 EPHX1 (0.37) L3MBTL1KIF11ALDH1A1TP53TAS2R38
SCHEMBL25804867 0.81 EPHX1 (0.37) L3MBTL1KIF11ALDH1A1TP53TAS2R38
SCHEMBL142976 0.80 LMNA (0.50) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL29611630 0.80 LMNA (0.50) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL34472041 0.79 L3MBTL1 (0.47) L3MBTL1KIF11ALDH1A1TP53TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-20210315869-A1 COMPOUNDS AND METHODS FOR CSK MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-10-14 US disclosed
US-20210315869-A1 COMPOUNDS AND METHODS FOR CSK MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-10-14 US disclosed
WO-2021202900-A1 1,6-NAPHTHYRIDINE COMPOUNDS AND METHODS FOR CSK MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2021-10-07 WO 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
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed
WO-2020069330-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 WO disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 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 (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 L3MBTL1 1029/4885KIF11 2409/4885ALDH1A1 869/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 L3MBTL1 1029/4885KIF11 2409/4885ALDH1A1 869/4885
US-20210315869-A1 COMPOUNDS AND METHODS FOR CSK MODULATION AND INDICATIONS THEREFOR MC2R, SLC10A1, SLC10A2 L3MBTL1 3526/4885KIF11 1668/4885ALDH1A1 2544/4885
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 L3MBTL1 4449/4885KIF11 4125/4885ALDH1A1 2674/4885

“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.