SCHEMBL4883677

SCHEMBL4883677

Nc1ccccc1[CH]C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL25505 0.79
SCHEMBL29776700 0.79
SCHEMBL29365160 0.79
Iodide SCHEMBL27959040 0.77 LMNA (0.60) MEN1KMT2ATDP1LMNATHRB
Hydrochloric Acid SCHEMBL10526696 0.77 LMNA (0.60) MEN1KMT2ATDP1LMNATHRB
Hydrochloric Acid SCHEMBL29953565 0.77 LMNA (0.60) MEN1KMT2ATDP1LMNATHRB
Bromide SCHEMBL28345884 0.77 LMNA (0.60) MEN1KMT2ATDP1LMNATHRB
SCHEMBL28156648 0.77 LMNA (0.60) MEN1KMT2ATDP1LMNATHRB
SCHEMBL3729553 0.76 CDK4 (0.57) MEN1KMT2ATDP1LMNATHRB
SCHEMBL1501162 0.76 CDK4 (0.57) MEN1KMT2ATDP1LMNATHRB

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
CN-104161757-A Application of mercaptonicotinic acid compounds AMMS CHINA 2014-11-26 CN claimed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US claimed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP claimed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 WO claimed
CN-104161757-A Application of mercaptonicotinic acid compounds AMMS CHINA 2014-11-26 CN disclosed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP disclosed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 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-20080275112-A1 Invention Concerning Aminoadamantane Compounds GABRA5, GABRA1, GABRA4 MEN1 1972/4885KMT2A 3097/4885TDP1 1495/4885

“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.