SCHEMBL13050985

SCHEMBL13050985

O=C(N[C@@H]1C[C@@H](c2ccc(F)c(F)c2)c2ccccc21)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.43
KDM1A O60341 1/20 0.43
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 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
SCHEMBL13906196 1.00 NPC1 (0.45) NPC1RAB9AHTTKDM1ASLC6A2
SCHEMBL13050947 0.86 HTT (0.46) NPC1RAB9AHTTTAS1R3TAS1R1
SCHEMBL13050950 0.86 HTT (0.46) NPC1RAB9AHTTTAS1R3TAS1R1
SCHEMBL13050965 0.85 TAS1R3 (0.51) NPC1RAB9AHTTTAS1R3TAS1R1
SCHEMBL13050966 0.85 TAS1R3 (0.51) NPC1RAB9AHTTTAS1R3TAS1R1
SCHEMBL13050841 0.84 HTT (0.51) HTT
SCHEMBL13050839 0.84 HTT (0.51) HTT
SCHEMBL13050865 0.83 HTT (0.46) NPC1RAB9AHTTSLC6A2SLC6A4
SCHEMBL13050863 0.83 HTT (0.46) NPC1RAB9AHTTSLC6A2SLC6A4
SCHEMBL13050923 0.82 SLC6A2 (0.62) NPC1RAB9ASLC6A2SLC6A4SLC6A3

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-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs LINK MEDICINE CORPORATION (US) 2010-11-18 US disclosed
US-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs LINK MEDICINE CORPORATION (US) 2010-11-18 US disclosed
WO-2009036275-A1 TREATMENT OF NEURODEGENERATIVE DISEASES USING INDATRALINE ANALOGS LINK MEDICINE CORPORATION (US) 2009-03-19 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-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs HTT, SNCA, PARK7 NPC1 612/4885RAB9A 1454/4885HTT 1/4885

“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.