SCHEMBL6720185

SCHEMBL6720185

O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
MAPK1 P28482 1/20 1.00
RAB9A P51151 4/20 0.66
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
TP53 P04637 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 2/20 0.63
GFER P55789 1/20 0.63
MMP1 P03956 5/20 0.63
MMP2 P08253 5/20 0.63
MMP9 P14780 5/20 0.63
EGFR P00533 4/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
LMNA P02545 3/20 0.63
GALR2 O43603 1/20 0.63
HTT P42858 2/20 0.62
POLB P06746 2/20 0.61
TDP1 Q9NUW8 2/20 0.61

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
SCHEMBL6721021 0.88 MAPT (0.79) MAPTMAPK1RAB9AMEN1KMT2A
SCHEMBL22523761 0.88 MAPT (0.82) MAPTMAPK1RAB9AMEN1KMT2A
SCHEMBL29060780 0.83 MAPT (0.74) MAPTMAPK1RAB9AMEN1KMT2A
SCHEMBL29060782 0.83 MAPT (0.74) MAPTMAPK1RAB9AMEN1KMT2A
SCHEMBL11590995 0.82 EGFR (0.92) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL2997673 0.81 RAB9A (1.00) MAPTMAPK1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL31228945 0.79 RAB9A (0.96) MAPTMAPK1RAB9AMEN1KMT2A
N-Phenylcinnamamide SCHEMBL3667414 0.79 MMP1 (1.00) RAB9AMEN1KMT2ASMN1; SMN2NPC1
N-Phenylcinnamamide SCHEMBL4205896 0.79 MMP1 (1.00) RAB9AMEN1KMT2ASMN1; SMN2NPC1
N-Phenylcinnamamide SCHEMBL2682029 0.79 MMP1 (1.00) RAB9AMEN1KMT2ASMN1; SMN2NPC1

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 2 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-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 MAPT 2174/4885MAPK1 966/4885RAB9A 3114/4885

“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.