SCHEMBL6721122

SCHEMBL6721122

Cc1nnc(N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)n1N

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.98
▸ KDM4E B2RXH2 11/20 0.98
▸ POLB P06746 9/20 0.98
▸ GAA P10253 7/20 0.98
▸ ALDH1A1 P00352 6/20 0.98
▸ L3MBTL1 Q9Y468 5/20 0.98
▸ RAB9A P51151 4/20 0.98
▸ TDP1 Q9NUW8 4/20 0.98
▸ G6PD P11413 1/20 0.98
▸ HTT P42858 1/20 0.98
▸ NPC1 O15118 2/20 0.56
▸ PKM P14618 1/20 0.56
▸ NSD2 O96028 1/20 0.56
▸ KDM4C Q9H3R0 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ LDHA P00338 4/20 0.54
▸ HPGD P15428 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ BIRC5 O15392 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
SCHEMBL6721120 0.81 MAPT (0.71) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL6721119 0.75 KDM4E (0.69) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL19420133 0.74 MAPT (0.76) MAPTKDM4EPOLBALDH1A1L3MBTL1
SCHEMBL6721172 0.74 MAPT (0.78) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL6721165 0.73 KDM4E (0.66) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL6420380 0.72 BIRC5 (0.70) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL6420375 0.72 BIRC5 (0.70) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL6721123 0.71 MAPT (0.58) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL6721129 0.71 MAPT (0.65) MAPTKDM4EPOLBGAAALDH1A1
SCHEMBL6721168 0.70 MAPT (0.68) MAPTKDM4EPOLBGAAALDH1A1

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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