SCHEMBL6721131

SCHEMBL6721131

CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.59
▸ KDM4E B2RXH2 6/20 0.59
▸ POLB P06746 6/20 0.59
▸ L3MBTL1 Q9Y468 6/20 0.59
▸ GAA P10253 3/20 0.59
▸ MAPK1 P28482 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ LDHA P00338 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ G6PD P11413 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ PKM P14618 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 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
SCHEMBL6721165 0.80 KDM4E (0.66) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL6435171 0.79 BIRC5 (0.68) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL6435175 0.79 BIRC5 (0.68) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL8241963 0.75 MAPT (0.57) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL6432659 0.72 BIRC5 (0.59) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL6432656 0.72 BIRC5 (0.59) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL6721129 0.72 MAPT (0.65) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL6721123 0.70 MAPT (0.58) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL6721172 0.69 MAPT (0.78) MAPTKDM4EPOLBL3MBTL1GAA
SCHEMBL12717686 0.69 GAA (0.61) MAPTKDM4EPOLBL3MBTL1GAA

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 4 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-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
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 MAPT 2174/4885KDM4E 1795/4885POLB 26/4885

“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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