SCHEMBL2406255

SCHEMBL2406255

O=C(NC1CCCc2ccccc21)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
LMNA P02545 3/20 0.80
KMT2A Q03164 3/20 0.80
ALDH1A1 P00352 5/20 0.74
TAS1R3 Q7RTX0 5/20 0.74
TAS1R1 Q7RTX1 5/20 0.74
TAS1R2 Q8TE23 4/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
KDM4E B2RXH2 1/20 0.74
TSHR P16473 1/20 0.74
MEN1 O00255 2/20 0.72
DHODH Q02127 1/20 0.70
CYP2D6 P10635 1/20 0.68

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
SCHEMBL5436807 1.00 HTT (1.00) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL22289415 0.92 HTT (0.84) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL30823638 0.92 HTT (0.84) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL3459886 0.91 HTT (0.83) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL3460628 0.91 HTT (0.83) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL2465110 0.91 HTT (0.83) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL29742388 0.91 HTT (0.83) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL6572555 0.90 LMNA (0.82) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL21780113 0.90 HTT (0.82) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL11272127 0.89 HTT (0.80) HTTLMNAKMT2AALDH1A1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-8389720-B2 Quinolone neuropeptide S receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-05 US disclosed
US-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists MERCK SHARP & DOHME LLC 2011-09-01 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 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 (3 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-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM HTT 4100/4885LMNA 4766/4885KMT2A 581/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM HTT 4100/4885LMNA 4766/4885KMT2A 581/4885
US-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists NPSR1, NPY1R, NPY2R HTT 408/4885LMNA 3299/4885KMT2A 3753/4885

“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.