SCHEMBL3878367

SCHEMBL3878367

CC(=O)Nc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 13/20 0.81
JAK2 O60674 1/20 0.66
TP53 P04637 1/20 0.66
MAPT P10636 1/20 0.66
HTT P42858 1/20 0.66
KLK7 P49862 1/20 0.66
ERCC1 P07992 1/20 0.58
FEN1 P39748 1/20 0.58
ERCC4 Q92889 1/20 0.58
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 2/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.53
KIF11 P52732 1/20 0.51

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
SCHEMBL31488020 1.00 PARP14 (0.81) PARP14JAK2TP53MAPTHTT
SCHEMBL29371973 0.90 PARP14 (1.00) PARP14
SCHEMBL3077145 0.85 JAK2 (0.68) PARP14JAK2TP53MAPTHTT
SCHEMBL9418204 0.83 JAK2 (0.66) PARP14JAK2TP53MAPTHTT
SCHEMBL10961185 0.83 JAK2 (0.70) PARP14JAK2TP53MAPTHTT
SCHEMBL10966763 0.83 JAK2 (0.66) PARP14JAK2TP53MAPTHTT
SCHEMBL20887144 0.83 TP53 (0.61) PARP14JAK2TP53MAPTHTT
SCHEMBL20887145 0.83 PARP14 (0.82) PARP14JAK2TP53MAPTHTT
SCHEMBL20887147 0.81 PARP14 (0.82) PARP14JAK2TP53MAPTHTT
SCHEMBL3072103 0.78 PARP14 (0.60) PARP14JAK2TP53MAPTHTT

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
CN-119463156-A Amphiphilic organic near-infrared thermal activation delayed fluorescence molecule and preparation method and application thereof 内蒙古大学 2025-02-18 CN disclosed
WO-2019071104-A1 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF HYPERAMMONEMIA CHILDREN'S NATIONAL MEDICAL CENTER (US) 2019-04-11 WO disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 PARP14 2647/4885JAK2 4614/4885TP53 499/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PARP14 2647/4885JAK2 4614/4885TP53 499/4885

“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.