SCHEMBL6720220

SCHEMBL6720220

Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4ccc(C(=O)O)c(O)c4)o3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.63
▸ KMT2A Q03164 11/20 0.63
▸ POLB P06746 10/20 0.63
▸ MEN1 O00255 10/20 0.63
▸ TP53 P04637 8/20 0.63
▸ BLM P54132 3/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ CTDSP1 Q9GZU7 2/20 0.63
▸ CRHBP P24387 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ LMNA P02545 6/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ THRB P10828 4/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ RECQL P46063 1/20 0.59
▸ HTT P42858 3/20 0.56

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
SCHEMBL6721418 0.89 MAPT (0.79) MAPTKMT2APOLBMEN1TP53
SCHEMBL6721369 0.81 MAPT (0.82) MAPTKMT2APOLBMEN1TP53
SCHEMBL6721389 0.77 MAPT (1.00) MAPTKMT2APOLBMEN1TP53
SCHEMBL12351248 0.74 MAPT (1.00) MAPTKMT2APOLBMEN1TP53
SCHEMBL6721359 0.74 MAPT (0.81) MAPTKMT2APOLBMEN1TP53
SCHEMBL12127306 0.73 MAPT (0.69) MAPTKMT2APOLBMEN1TP53
SCHEMBL6721415 0.72 MAPT (1.00) MAPTKMT2APOLBMEN1TP53
SCHEMBL6721420 0.72 MAPT (0.80) MAPTKMT2APOLBMEN1TP53
SCHEMBL6225340 0.71 MAPT (0.53) MAPTKMT2APOLBMEN1TP53
SCHEMBL6225344 0.71 MAPT (0.53) MAPTKMT2APOLBMEN1TP53

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 1477/4885POLB 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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