SCHEMBL998994

SCHEMBL998994

c1ccc(NCCNCCNc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
ALDH1A1 P00352 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 3/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 2/20 0.43
CTSD P07339 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ROCK1 Q13464 1/20 0.41

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
SCHEMBL11518220 1.00 MAPT (0.67) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL232188 0.91 MAPT (0.78) MAPTALDH1A1L3MBTL1TDP1DRD4
SCHEMBL8972676 0.89 ALDH1A1 (0.60) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL10548798 0.89 ALDH1A1 (0.54) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL1937279 0.89 ALDH1A1 (0.60) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL1562142 0.88 MAPT (0.74) MAPTALDH1A1L3MBTL1TDP1DRD4
SCHEMBL6416019 0.88 MAPT (0.74) MAPTALDH1A1L3MBTL1TDP1DRD4
Bromide SCHEMBL8828468 0.87 MAPT (0.52) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL30305695 0.87 L3MBTL1 (0.73) MAPTALDH1A1L3MBTL1SIGMAR1CA12
SCHEMBL8346697 0.85 MAPT (0.56) MAPTALDH1A1L3MBTL1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456795-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS Equistar Chemicals, LP (US) 2012-05-30 EP claimed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US claimed
WO-2011011039-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO claimed
EP-2456795-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS Equistar Chemicals, LP (US) 2012-05-30 EP disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
WO-2011011039-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
US-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 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 (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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM MAPT 2518/4885ALDH1A1 2856/4885L3MBTL1 3139/4885

“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.