SCHEMBL16654497

SCHEMBL16654497

O=C(O)Nc1cc(Br)cc(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
LMNA P02545 5/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GPR35 Q9HC97 2/20 0.41
ACLY P53396 2/20 0.37
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSPD1 P10809 1/20 0.35
HSPE1 P61604 1/20 0.35
DGAT1 O75907 1/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL27761067 0.84 KIF11 (0.47) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL16005313 0.83 GPR35 (0.42) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL12362248 0.80 PDK1 (0.39) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL4350043 0.79 NPC1 (0.69) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL4354426 0.77 NPC1 (0.47) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL4344425 0.77 DDX3X (0.52) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL6390219 0.76 ALDH1A1 (0.41) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL31190014 0.76 HSD17B10 (0.42) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL4346830 0.76 LMNA (0.44) NPC1LMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL5594969 0.76 HTT (0.65) NPC1LMNARAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 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 (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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB NPC1 3124/4885LMNA 3360/4885RAB9A 886/4885

“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.