SCHEMBL12747007

SCHEMBL12747007

Nc1ccc(N=C2C=CC(=Nc3ccc(Nc4ccc(N)cc4)cc3)C=C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAD52 P43351 1/20 0.47
▸ NR4A1 P22736 1/20 0.44
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 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
SCHEMBL15489199 0.93 MAPT (0.64) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL19427098 0.93 MAPT (0.64) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL9126691 0.93 MAPT (0.59) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL28230071 0.93 MAPT (0.59) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL11689325 0.91 MAPT (0.42) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL14594147 0.91 ACHE (0.45) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL15497987 0.91 MAPT (0.42) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL17546504 0.91 MAPT (0.42) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL17231235 0.87 TDP1 (0.52) MAPTL3MBTL1HTTALDH1A1CYP3A4
SCHEMBL13510681 0.87 ALDH1A1 (0.44) MAPTL3MBTL1HTTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200258686-A1 ORGANIC COMPOUND, CRYSTAL DIELECTRIC LAYER AND CAPACITOR CAPACITOR SCIENCES INCORPORATED 2020-08-13 — — US disclosed
US-10600574-B2 Organic compound, crystal dielectric layer and capacitor CAPACITOR SCIENCES INCORPORATED (US) 2020-03-24 — — US disclosed
US-20190139706-A1 ORGANIC COMPOUND, CRYSTAL DIELECTRIC LAYER AND CAPACITOR CAPACITOR SCIENCES INCORPORATED 2019-05-09 — — US disclosed
US-7928432-B2 Sensing devices from molecular electronic devices THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-04-19 — — US disclosed
US-20090017571-A1 SENSING DEVICES FROM MOLECULAR ELECTRONIC DEVICES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-01-15 — — US disclosed
US-20070292601-A1 Thin Film Devices Utilizing Hexabenzocoronenes NATIONAL SCIENCE FOUNDATION 2007-12-20 — — 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 (4 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-10600574-B2 Organic compound, crystal dielectric layer and capacitor PIEZO1, FOXO1, ORAI2 MAPT 4606/4885L3MBTL1 1313/4885HTT 3603/4885
US-20070292601-A1 Thin Film Devices Utilizing Hexabenzocoronenes EPCAM, JUP, WIZ MAPT 2998/4885L3MBTL1 459/4885HTT 4519/4885
US-20190139706-A1 ORGANIC COMPOUND, CRYSTAL DIELECTRIC LAYER AND CAPACITOR PIEZO1, FOXO1, ORAI2 MAPT 4606/4885L3MBTL1 1313/4885HTT 3603/4885
US-20200258686-A1 ORGANIC COMPOUND, CRYSTAL DIELECTRIC LAYER AND CAPACITOR PIEZO1, FOXO1, ORAI2 MAPT 4606/4885L3MBTL1 1313/4885HTT 3603/4885

“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.

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