SCHEMBL16006453

SCHEMBL16006453

Cc1ccc(Cl)c2cnn(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
MEN1 O00255 5/20 0.38
HCRTR1 O43613 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PDE2A O00408 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
BCDIN3D Q7Z5W3 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL13184308 0.85 KMT2A (0.38) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL13486140 0.84 HPGD (0.37) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL15995781 0.79 KDM4E (0.34) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL21608555 0.77 PI4KA (0.38) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL21128743 0.77 LMNA (0.33) KMT2AMEN1HCRTR1KDM4EHPGD
SCHEMBL29303426 0.77 LMNA (0.33) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL16158028 0.77 LMNA (0.40) KMT2AKDM4EALDH1A1HPGDPDE2A
SCHEMBL20430046 0.77 KAT2B (0.45) KMT2AMEN1HCRTR1KDM4EALDH1A1
SCHEMBL16154715 0.77 CYP11B1 (0.36) KMT2AKDM4EALDH1A1HPGDPDE2A
SCHEMBL29956343 0.74 PI4KA (0.33) KMT2AMEN1HCRTR1HPGDATM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 EP disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 WO disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 WO 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-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KMT2A 4702/4885MEN1 2641/4885HCRTR1 3923/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KMT2A 4702/4885MEN1 2641/4885HCRTR1 3923/4885

“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.