SCHEMBL17839736

SCHEMBL17839736

Fc1cc2nc(Br)sc2cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 5/20 0.49
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
PKM P14618 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.32
GFER P55789 2/20 0.32
MAPK1 P28482 2/20 0.32
AXL P30530 1/20 0.32
ROCK2 O75116 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
MCL1 Q07820 2/20 0.32

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
SCHEMBL3091345 0.87 ILK (0.38) ILKALDH1A1MAPTNPC1RAB9A
SCHEMBL30521646 0.82 SMN1; SMN2 (0.59) ILKALDH1A1MAPTNPC1RAB9A
SCHEMBL20570412 0.82 ILK (0.46) ILKALDH1A1MAPTNPC1RAB9A
SCHEMBL25804821 0.82 SMN1; SMN2 (0.59) ILKALDH1A1MAPTNPC1RAB9A
SCHEMBL4071678 0.82 AXL (0.53) ILKALDH1A1MAPTNPC1RAB9A
SCHEMBL19782524 0.80 HSD17B1 (0.36) ILKALDH1A1MAPTNPC1RAB9A
SCHEMBL18315218 0.79 RAB9A (0.46) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL20570923 0.78 ILK (0.46) ILKALDH1A1MAPTNPC1RAB9A
SCHEMBL20176225 0.77 RAB9A (0.54) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL3660199 0.76 ILK (0.40) ILKALDH1A1MAPTNPC1RAB9A

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
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP 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
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 ILK 4749/4885ALDH1A1 2674/4885MAPT 3116/4885

“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.