SCHEMBL6721359

SCHEMBL6721359

N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)c1nc2ccccc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.81
▸ MEN1 O00255 11/20 0.81
▸ KMT2A Q03164 11/20 0.81
▸ POLB P06746 10/20 0.81
▸ SMN1; SMN2 Q16637 6/20 0.81
▸ KDM4E B2RXH2 5/20 0.81
▸ TDP1 Q9NUW8 4/20 0.81
▸ LMNA P02545 4/20 0.81
▸ NPC1 O15118 4/20 0.81
▸ RAB9A P51151 4/20 0.81
▸ THRB P10828 3/20 0.81
▸ RECQL P46063 3/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ NPSR1 Q6W5P4 2/20 0.81
▸ TP53 P04637 8/20 0.73
▸ BLM P54132 3/20 0.73
▸ CTDSP1 Q9GZU7 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ HTT P42858 2/20 0.58

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
SCHEMBL12351248 0.89 MAPT (1.00) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6721369 0.85 MAPT (0.82) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6721418 0.85 MAPT (0.79) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6721389 0.84 MAPT (1.00) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6721415 0.82 MAPT (1.00) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL16291421 0.79 MEN1 (0.86) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL16291420 0.79 MEN1 (0.86) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL16291419 0.79 MEN1 (0.86) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6721420 0.79 MAPT (0.80) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12127306 0.79 MAPT (0.69) MAPTMEN1KMT2APOLBSMN1; SMN2

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 2174/4885MEN1 4601/4885KMT2A 1477/4885

“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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