SCHEMBL8097936

SCHEMBL8097936

COc1ccc(C(F)(F)F)cc1Nc1cc(N(C)C)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.45
GALR1 P47211 3/20 0.43
GALR2 O43603 2/20 0.43
ALDH1A1 P00352 8/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
TTK P33981 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3243327 0.88 ALDH1A1 (0.48) GBA1GALR1GALR2ALDH1A1LMNA
SCHEMBL3236694 0.87 MAPT (0.56) GBA1ALDH1A1LMNAMAPTTSHR
SCHEMBL3242611 0.86 MAPT (0.47) GALR1GALR2ALDH1A1LMNAMAPT
SCHEMBL6788923 0.84 TSHR (0.51) GBA1ALDH1A1MAPTTSHRKDM4E
SCHEMBL8096610 0.83 MAPT (0.53) ALDH1A1LMNAMAPTKDM4EHSD17B10
SCHEMBL3247371 0.83 GALR2 (0.47) GALR1GALR2ALDH1A1LMNAMAPT
SCHEMBL8097814 0.80 KDM4E (0.43) GALR1GALR2ALDH1A1LMNAMAPT
SCHEMBL3238480 0.78 HTT (0.53) GALR1GALR2ALDH1A1LMNAMAPT
SCHEMBL3240238 0.78 KDM4E (0.42) GALR1GALR2ALDH1A1LMNAMAPT
SCHEMBL8088683 0.78 KDM4E (0.47) ALDH1A1LMNAMAPTTSHRKDM4E

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
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 US disclosed
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 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 (2 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-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative GALR3, GALR2, GALR1 GBA1 265/4885GALR1 3/4885GALR2 2/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 GBA1 150/4885GALR1 3/4885GALR2 2/4885

“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.