SCHEMBL3758623

SCHEMBL3758623

COC(=O)c1c(OC)c(Br)cc2ncc(-c3ccc(F)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
PLA2G2A P14555 1/20 0.40
TDO2 P48775 2/20 0.39
IDO1 P14902 1/20 0.39
PARP1 P09874 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 2/20 0.38

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
SCHEMBL3522253 0.89 PDGFRB (0.39) RAB9AJAK2JAK1PARP1HPGD
SCHEMBL3518631 0.89 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2PLA2G2APARP1
SCHEMBL3757203 0.86 ALPL (0.44) NPC1RAB9AJAK2JAK1PLA2G2A
SCHEMBL3536173 0.83 HPGD (0.39) SMN1; SMN2JAK2JAK1PARP1HPGD
SCHEMBL3518253 0.81 PDGFRB (0.39) RAB9APLA2G2AHPGDL3MBTL1MEN1
SCHEMBL3520739 0.76 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2JAK2JAK1
SCHEMBL3517937 0.76 TSHR (0.37) SMN1; SMN2HPGDTSHRALDH1A1HSD17B10
SCHEMBL3524091 0.76 DHODH (0.40) NPC1RAB9APARP1DHODHMEN1
SCHEMBL3521595 0.73 MAPT (0.37) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL3519825 0.72 EGLN1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101983384-A Prolyl hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2011-03-02 CN disclosed
US-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 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-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 NPC1 2674/4885CASP3 3931/4885RAB9A 3111/4885

“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.