SCHEMBL6722951

SCHEMBL6722951

O=C(O)c1cncc(C(=O)NCc2ccc(F)cc2)c1O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.54
APEX1 P27695 1/20 0.51
PTGER4 P35408 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGER2 P43116 2/20 0.47
LIPG Q9Y5X9 1/20 0.47
CCR1 P32246 1/20 0.47

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
SCHEMBL6722818 0.86 HPGD (0.52) KMT2ACYP1A2CYP2C19L3MBTL1APEX1
SCHEMBL6722982 0.85 SORT1 (0.62) KMT2ACYP1A2CYP2C19APEX1KDM4E
SCHEMBL6722874 0.84 KMT2A (0.78) KMT2ACYP1A2CYP2C19L3MBTL1APEX1
SCHEMBL6723067 0.83 RAB9A (0.55) CYP1A2CYP2C19L3MBTL1LMNASMN1; SMN2
SCHEMBL12697363 0.81 KMT2A (0.71) KMT2ACYP1A2CYP2C19L3MBTL1APEX1
SCHEMBL12697371 0.80 KMT2A (0.66) KMT2ACYP1A2CYP2C19L3MBTL1APEX1
SCHEMBL6357013 0.78 KMT2A (1.00) KMT2ACYP1A2CYP2C19L3MBTL1APEX1
SCHEMBL6372921 0.76 KMT2A (0.63) KMT2ACYP1A2CYP2C19L3MBTL1APEX1
SCHEMBL12697312 0.75 KMT2A (0.64) KMT2ACYP1A2CYP2C19L3MBTL1APEX1
SCHEMBL12697314 0.75 KMT2A (0.59) KMT2ACYP1A2CYP2C19L3MBTL1LMNA

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 KMT2A 1477/4885CYP1A2 525/4885CYP2C19 377/4885

“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.