SCHEMBL6722302

SCHEMBL6722302

O=C(O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.77
MEN1 O00255 14/20 0.72
KMT2A Q03164 14/20 0.72
ALDH1A1 P00352 11/20 0.72
MAPT P10636 11/20 0.72
KDM4E B2RXH2 10/20 0.72
L3MBTL1 Q9Y468 9/20 0.72
BLM P54132 9/20 0.72
HPGD P15428 8/20 0.72
RECQL P46063 7/20 0.72
TDP1 Q9NUW8 7/20 0.72
PKM P14618 6/20 0.72
THRB P10828 5/20 0.72
NR4A1 P22736 5/20 0.72
ALOX12 P18054 4/20 0.72
BID P55957 1/20 0.72
BCL2A1 Q16548 1/20 0.72
POLB P06746 12/20 0.65
USP2 O75604 3/20 0.65
HTT P42858 3/20 0.65

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
SCHEMBL24277667 0.87 MCL1 (1.00) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL13856422 0.84 MEN1 (1.00) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL26295896 0.82 MCL1 (0.82) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL20919142 0.82 MEN1 (0.72) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL30518187 0.82 MEN1 (0.72) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL24277665 0.81 MCL1 (0.80) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL24277194 0.81 MCL1 (0.80) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL15814086 0.80 MEN1 (0.84) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2113647 0.79 ALDH1A1 (1.00) MCL1MEN1KMT2AALDH1A1MAPT
SCHEMBL13856578 0.79 MEN1 (1.00) MCL1MEN1KMT2AALDH1A1MAPT

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 MCL1 2029/4885MEN1 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.