SCHEMBL6722220

SCHEMBL6722220

O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NNC(=O)c1ccccc1O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.71
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTK2 Q05397 2/20 0.59
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 2/20 0.58
APEX1 P27695 1/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 3/20 0.55
HTT P42858 1/20 0.54
TACR1 P25103 1/20 0.51

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
SCHEMBL6722078 0.85 POLB (0.73) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6722242 0.82 POLB (0.66) POLBPTK2ALDH1A1LMNAKDM4E
SCHEMBL13831342 0.81 MAPT (0.75) POLBPTK2ALDH1A1LMNAMAPT
SCHEMBL6722133 0.80 TSHR (0.68) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6722241 0.76 TSHR (0.62) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6210228 0.76 MAPT (0.71) POLBPTK2ALDH1A1LMNARECQL
SCHEMBL6722164 0.76 POLB (1.00) POLBALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL13831817 0.74 TP53 (0.74) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18292430 0.74 L3MBTL1 (0.72) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6722091 0.73 LMNA (1.00) POLBCYP2D6CYP2C9CYP2C19ALDH1A1

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 POLB 26/4885CYP3A4 73/4885CYP2D6 366/4885

“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.