SCHEMBL8533307

SCHEMBL8533307

O=[N+]([O-])c1ccccc1C=CN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 5/20 0.61
MAPK1 P28482 4/20 0.61
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
KMT2A Q03164 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MEN1 O00255 4/20 0.52
SOS1 Q07889 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAOB P27338 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL30603181 1.00 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL6194046 1.00 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL8534470 0.98 ALDH1A1 (0.65) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL8534466 0.98 ALDH1A1 (0.65) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL8533986 0.87 MAPT (0.51) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL8533983 0.87 MAPT (0.51) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL14185148 0.83 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL14935499 0.81 MAPT (0.69) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9978289 0.81 MAPT (0.69) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL11049170 0.81 MAPT (0.69) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US claimed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP claimed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 US claimed
EP-4342473-A2 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-03-27 EP disclosed
US-20240051972-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-02-15 US disclosed
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
EP-3886987-B1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE IP DEV LTD (GB) 2023-11-15 EP disclosed
US-11492361-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-08 US disclosed
US-20220119417-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-21 US disclosed
EP-3886987-A1 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-10-06 EP disclosed
US-20210009609-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-14 US disclosed
US-10870663-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-22 US disclosed
US-20200299309-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-24 US disclosed
WO-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 WO disclosed
CN-1923365-A Method for producing indolopyrrolocarbazole derivative BANYU PHARMA CO LTD (JP) 2007-03-07 CN disclosed
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 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 (7 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-20220119417-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 ALDH1A1 424/4885MAPT 650/4885MAPK1 3593/4885
US-20240051972-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 ALDH1A1 424/4885MAPT 650/4885MAPK1 3593/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 ALDH1A1 424/4885MAPT 650/4885MAPK1 3593/4885
US-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 ALDH1A1 962/4885MAPT 605/4885MAPK1 3452/4885
US-11492361-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 ALDH1A1 474/4885MAPT 876/4885MAPK1 3814/4885
US-20200299309-A1 Compounds Useful in HIV Therapy CCR5, SLC11A2, CD4 ALDH1A1 962/4885MAPT 605/4885MAPK1 3452/4885
US-20210009609-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 ALDH1A1 474/4885MAPT 876/4885MAPK1 3814/4885

“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.