SCHEMBL6720191

SCHEMBL6720191

O=C(NCCCO)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.71
MITF O75030 5/20 0.71
KDM4E B2RXH2 5/20 0.71
RAD52 P43351 3/20 0.71
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
POLB P06746 4/20 0.67
SMN1; SMN2 Q16637 6/20 0.65
HTT P42858 5/20 0.65
LMNA P02545 3/20 0.65
MAPT P10636 9/20 0.64
ALDH1A1 P00352 7/20 0.64
GAA P10253 3/20 0.64
CCR6 P51684 1/20 0.59
PAX8 Q06710 1/20 0.59
TLR9 Q9NR96 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
APAF1 O14727 1/20 0.52
HPGD P15428 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
SCHEMBL5896273 0.93 MAPK1 (0.68) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5896261 0.93 MAPK1 (0.68) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5896285 0.93 MAPK1 (0.68) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5895812 0.81 MAPT (0.67) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5895791 0.81 MAPT (0.67) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5895805 0.81 MAPT (0.67) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5896010 0.79 MAPT (0.65) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5896030 0.79 MAPT (0.65) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5896020 0.79 MAPT (0.65) MAPK1MITFKDM4ERAD52KMT2A
SCHEMBL5896582 0.76 MAPT (0.56) MAPK1MITFKDM4ERAD52KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MAPK1 966/4885MITF 4321/4885KDM4E 1795/4885

“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.