SCHEMBL6721022

SCHEMBL6721022

O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 19/20 1.00
MEN1 O00255 18/20 1.00
POLB P06746 10/20 1.00
MAPT P10636 7/20 1.00
ALDH1A1 P00352 6/20 1.00
RAB9A P51151 5/20 1.00
NPC1 O15118 5/20 1.00
GAA P10253 4/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
LMNA P02545 1/20 1.00
L3MBTL1 Q9Y468 4/20 0.76
RECQL P46063 3/20 0.73
ALOX12 P18054 2/20 0.71
KDM4E B2RXH2 2/20 0.71
HPGD P15428 2/20 0.71
HTT P42858 1/20 0.71
GPR55 Q9Y2T6 1/20 0.65
ALPI P09923 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
NSD2 O96028 1/20 0.63

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
SCHEMBL14682189 0.83 KMT2A (0.71) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14096449 0.76 NPC1 (1.00) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14096459 0.75 KMT2A (0.71) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14096453 0.75 KMT2A (0.76) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14096448 0.74 KMT2A (0.79) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14096640 0.72 KMT2A (0.66) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14096447 0.71 KMT2A (1.00) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL4024688 0.71 KMT2A (1.00) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL4024692 0.71 KMT2A (1.00) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL31530568 0.71 RAB9A (0.77) KMT2AMEN1POLBMAPTALDH1A1

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 6 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
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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 (2 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 KMT2A 4579/4885MEN1 4577/4885POLB 70/4885
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 KMT2A 1477/4885MEN1 4601/4885POLB 26/4885

“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.