SCHEMBL6721049

SCHEMBL6721049

Cc1cc2nc(-c3cc(NC(=O)c4ccc(F)cc4)ccc3O)oc2cc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.59
MAPT P10636 14/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.55
GAA P10253 2/20 0.55
RAB9A P51151 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 4/20 0.55
POLB P06746 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.50
AGPAT2 O15120 1/20 0.50

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
SCHEMBL9330808 0.85 THRB (0.80) THRBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14615281 0.78 AGPAT2 (0.79) THRBMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL2251895 0.76 THRB (0.83) THRBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2244890 0.75 KDM4E (0.73) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2244745 0.73 MAPT (0.87) THRBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2245492 0.72 MAPT (0.66) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL4395962 0.71 MAPT (0.65) THRBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2242938 0.71 MAPT (0.87) THRBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4507313 0.70 AGPAT2 (0.88) MAPTTP53AGPAT2
SCHEMBL6721055 0.70 RAB9A (0.71) THRBMAPTSMN1; SMN2KDM4EALDH1A1

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 THRB 2519/4885MAPT 2174/4885SMN1; SMN2 3619/4885

“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.