SCHEMBL6721129

SCHEMBL6721129

O=C(O)c1cccc(-c2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.65
▸ KMT2A Q03164 9/20 0.65
▸ ALDH1A1 P00352 8/20 0.65
▸ KDM4E B2RXH2 7/20 0.65
▸ MEN1 O00255 7/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ MCL1 Q07820 1/20 0.61
▸ L3MBTL1 Q9Y468 5/20 0.60
▸ POLB P06746 5/20 0.60
▸ GAA P10253 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ HTT P42858 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.56
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ TLR9 Q9NR96 1/20 0.55
▸ G6PD P11413 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ S1PR2 O95136 1/20 0.53
▸ LMNA P02545 1/20 0.53

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
SCHEMBL13548901 0.84 MAPT (0.68) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL27776235 0.82 MAPT (0.63) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL22903822 0.80 KDM4E (0.57) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6721165 0.79 KDM4E (0.66) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL8239208 0.76 HTT (0.71) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL8239298 0.75 KMT2A (0.60) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL12417165 0.75 MAPT (0.66) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL19865580 0.75 KDM4E (0.47) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL12443073 0.74 KMT2A (0.74) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL12417212 0.74 MAPT (0.63) MAPTKMT2AALDH1A1KDM4EMEN1

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 2174/4885KMT2A 1477/4885ALDH1A1 265/4885

“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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