SCHEMBL9319844

SCHEMBL9319844

CCC(=O)Nc1cc(N(CC)CC)ccc1/N=N/c1c(Br)cc([N+](=O)[O-])cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 9/20 0.38
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRK2 P25098 1/20 0.35
DNMT1 P26358 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL29363120 1.00 LMNA (0.40) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319847 1.00 LMNA (0.40) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319464 0.95 LMNA (0.38) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319467 0.95 LMNA (0.38) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319684 0.93 LMNA (0.39) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9319682 0.93 LMNA (0.39) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL5388613 0.92 RECQL (0.39) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL13475197 0.92 LMNA (0.35) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL10941541 0.92 LMNA (0.38) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL11695350 0.91 MAPT (0.36) LMNAMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106365243-B Abandon a class type rainwater deep cycle purifier and purification process thereof 徐州工程学院 2020-09-08 CN claimed
EP-0300626-B1 Disperse dye mixture ZENECA LTD (GB) 1994-01-19 EP claimed
CN-106365243-B Abandon a class type rainwater deep cycle purifier and purification process thereof 徐州工程学院 2020-09-08 CN disclosed
EP-2142011-B1 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPISITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2011-01-12 EP disclosed
EP-2139347-B1 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2011-01-12 EP disclosed
US-20100028444-A1 USE OF WATER-DISPERSIBLE CAROTENOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTENOID NANOPARTICLES, AND, METHOD FOR TASTE MODULATION BASF SE (DE) 2010-02-04 US disclosed
EP-0300626-B1 Disperse dye mixture ZENECA LTD (GB) 1994-01-19 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-20100028444-A1 USE OF WATER-DISPERSIBLE CAROTENOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTENOID NANOPARTICLES, AND, METHOD FOR TASTE MODULATION TAS2R13, TAS2R10, TAS2R16 LMNA 3944/4885MAPT 1185/4885ALDH1A1 2079/4885

“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.