SCHEMBL6721164

SCHEMBL6721164

O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
MAPT P10636 9/20 0.67
KDM4E B2RXH2 7/20 0.67
POLB P06746 5/20 0.67
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
GAA P10253 2/20 0.62
PKM P14618 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
RECQL P46063 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
HPGD P15428 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ALOX12 P18054 1/20 0.62
USP2 O75604 1/20 0.60
MCL1 Q07820 1/20 0.60
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPK1 P28482 3/20 0.57

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
SCHEMBL13497069 0.89 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL6721163 0.89 ALDH1A1 (0.75) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL13497042 0.85 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL13497058 0.84 MAPT (0.69) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL13497067 0.84 MAPT (0.68) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL12417179 0.81 MAPT (0.69) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL12417161 0.80 KDM4E (0.62) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL12113861 0.78 GAA (0.87) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL28369669 0.78 PHGDH (0.69) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL28369671 0.78 PHGDH (0.69) ALDH1A1MAPTKDM4EPOLBMEN1

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 ALDH1A1 265/4885MAPT 2174/4885KDM4E 1795/4885

“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.