SCHEMBL6721169

SCHEMBL6721169

O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.70
KDM4E B2RXH2 6/20 0.70
MAPK1 P28482 5/20 0.70
ALDH1A1 P00352 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
PRMT5 O14744 1/20 0.69
WDR77 Q9BQA1 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.65
POLB P06746 5/20 0.61
HPGD P15428 3/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KEAP1 Q14145 1/20 0.60
NFE2L2 Q16236 1/20 0.60
PSMD14 O00487 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LDHA P00338 2/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL13497067 0.88 MAPT (0.68) MAPTKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL12417179 0.87 MAPT (0.69) MAPTKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16063970 0.84 PRMT5 (0.80) MAPTKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL12218438 0.83 MAPT (0.70) MAPTKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16063972 0.82 MAPT (0.79) MAPTKDM4EMAPK1ALDH1A1PRMT5
SCHEMBL12417163 0.82 PRMT5 (1.00) MAPTKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL13496989 0.80 MAPT (0.84) MAPTKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL13475703 0.80 RAB9A (0.74) MAPTKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL28900918 0.80 RAB9A (0.74) MAPTKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL19215162 0.80 PRMT5 (0.72) MAPTKDM4EMAPK1ALDH1A1SMN1; 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 2174/4885KDM4E 1795/4885MAPK1 966/4885

“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.