SCHEMBL6721130

SCHEMBL6721130

Clc1ccc(-c2ccc(/C=N/Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.64
▸ DDX3X O00571 2/20 0.56
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ SLC2A1 P11166 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ S1PR2 O95136 1/20 0.46

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
SCHEMBL11913677 0.88 MAPT (0.65) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL12417184 0.88 DDX3X (0.56) MAPTDDX3XCA1CA2CA12
SCHEMBL12717686 0.85 GAA (0.61) MAPTDDX3XMEN1KMT2AKDM4E
SCHEMBL12417202 0.84 MAPT (0.62) MAPTDDX3XCA1CA2CA12
SCHEMBL6721154 0.79 CTSL (0.58) MAPTDDX3XCA1CA2CA12
SCHEMBL6721165 0.78 KDM4E (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11918184 0.78 MAPT (0.65) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL12417208 0.76 MAPT (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8241062 0.74 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8265955 0.74 MAPT (0.66) MAPTMEN1KMT2AALDH1A1KDM4E

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 10 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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — 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 (3 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885DDX3X 1143/4885CA1 1082/4885
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MAPT 2174/4885DDX3X 997/4885CA1 4768/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885DDX3X 1143/4885CA1 1082/4885

“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.

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