SCHEMBL13050841

SCHEMBL13050841

O=C(N[C@@H]1C[C@@H](c2ccccc2)c2ccccc21)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.47
LIPG Q9Y5X9 2/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL13050839 1.00 HTT (0.51) HTTALDH1A1LIPGDDB1CRBN
SCHEMBL13050947 0.90 HTT (0.46) HTTGAAMAPT
SCHEMBL13050863 0.90 HTT (0.46) HTT
SCHEMBL13050950 0.90 HTT (0.46) HTTGAAMAPT
SCHEMBL13050865 0.90 HTT (0.46) HTT
SCHEMBL13050890 0.87 GRM5 (0.52) HTTPKM
SCHEMBL13050965 0.87 TAS1R3 (0.51) HTTALDH1A1
SCHEMBL13050966 0.87 TAS1R3 (0.51) HTTALDH1A1
SCHEMBL13050889 0.87 GRM5 (0.52) HTTPKM
SCHEMBL13050985 0.84 NPC1 (0.45) HTT

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
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 HTT 1/4885ALDH1A1 2690/4885LIPG 3838/4885

“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.