SCHEMBL3398092

SCHEMBL3398092

O=c1oc2c[c]ccc2cc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.48
GAPDH P04406 2/20 0.47
MAPT P10636 1/20 0.47
MAOB P27338 7/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MIF P14174 5/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.42
ESR2 Q92731 2/20 0.40
MAOA P21397 1/20 0.40
NCOA1 Q15788 1/20 0.40

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
SCHEMBL3396561 0.84 RAB9A (0.66) GAPDHMAPTMAOBRAB9AALDH1A1
SCHEMBL28068462 0.81 RAB9A (0.71) GPR35GAPDHMAPTMAOBRAB9A
SCHEMBL27943249 0.76 CA12 (0.43) GPR35MAPTMAOBALDH1A1HPGD
SCHEMBL3400256 0.74 GAPDH (0.55) GAPDHMAPTMAOBRAB9AALDH1A1
SCHEMBL28664040 0.73 MAOB (0.66) GAPDHMAPTMAOBRAB9AALDH1A1
SCHEMBL3131797 0.71 RAB9A (0.69) GAPDHMAPTMAOBRAB9AALDH1A1
SCHEMBL6928495 0.71 MAOB (0.68) GPR35MAPTMAOBALDH1A1KDM4E
SCHEMBL22132871 0.70 ADORA1 (0.73) GPR35GAPDHMAPTMAOBRAB9A
SCHEMBL7192547 0.70 ESR2 (0.36) GAPDHMAPTMAOBRAB9AALDH1A1
SCHEMBL4209132 0.70 TAAR1 (0.40) MAPTKDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121678-B1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-11-03 EP disclosed
US-20090312364-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-12-17 US disclosed
EP-2121678-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2009-11-25 EP disclosed
WO-2008074798-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-06-26 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-20090312364-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC6A2, SLC18A2, SLC18A1 GPR35 1214/4885GAPDH 1488/4885MAPT 504/4885

“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.