SCHEMBL3442515

SCHEMBL3442515

Oc1cccc2[c]c3ccccc3nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP1A2 P05177 3/20 0.51
NQO2 P16083 3/20 0.44
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
METAP2 P50579 2/20 0.38
MMP2 P08253 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
COMT P21964 1/20 0.38
ADRA1A P35348 1/20 0.38
METAP1 P53582 1/20 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
SCHEMBL23981 0.76 MAPT (0.56) ACHEALDH1A1KMT2AGAAMAPT
SCHEMBL3181469 0.74 ACHE (1.00) ACHEALDH1A1KMT2AGAAMAPT
SCHEMBL7886307 0.73 NQO2 (0.61) ALDH1A1KMT2AGAAMAPTRAB9A
SCHEMBL345562 0.73 ALDH1A1 (1.00) ACHEALDH1A1KMT2AGAAMAPT
SCHEMBL20475303 0.71 ALDH1A1 (0.95) ACHEALDH1A1KMT2AGAAMAPT
SCHEMBL762952 0.71 ACHE (0.72) ACHEALDH1A1KMT2AGAAMAPT
SCHEMBL270509 0.69 MAPT (0.36) ACHEALDH1A1KMT2AGAAMAPT
SCHEMBL802228 0.68 ACHE (0.61) ACHEALDH1A1KMT2AGAAMAPT
SCHEMBL13313366 0.68 CYP1A2 (0.64) ACHEALDH1A1KMT2AGAAMAPT
SCHEMBL13439504 0.68 ACHE (0.85) ACHEALDH1A1KMT2AGAAMAPT

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-7812025-B2 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-12 US disclosed
US-20090048263-A1 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1923388-A1 BRAIN/NEURONAL CELL-PROTECTING AGENT, AND THERAPEUTIC AGENT FOR SLEEP DISORDER Takeda Pharmaceutical Company Limited (JP) 2008-05-21 EP 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-20090048263-A1 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder HCRTR1, HCRTR2, MTNR1A ACHE 3601/4885ALDH1A1 738/4885KMT2A 34/4885

“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.