SCHEMBL4787299

SCHEMBL4787299

CCC(C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.72
MEN1 O00255 11/20 0.72
KMT2A Q03164 11/20 0.72
ALDH1A1 P00352 11/20 0.72
HPGD P15428 11/20 0.72
BLM P54132 10/20 0.72
MAPT P10636 9/20 0.72
SAE1 Q9UBE0 9/20 0.72
UBA2 Q9UBT2 9/20 0.72
HTT P42858 6/20 0.72
POLB P06746 5/20 0.72
LMNA P02545 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
CASP3 P42574 4/20 0.72
SENP8 Q96LD8 4/20 0.72
SENP7 Q9BQF6 4/20 0.72
SENP6 Q9GZR1 4/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
S1PR2 O95136 1/20 0.72
CYP1A2 P05177 1/20 0.72

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
SCHEMBL8168066 0.86 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL15032607 0.84 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL15032605 0.82 SAE1 (0.76) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL15032610 0.81 SAE1 (0.72) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL4787894 0.79 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL4788160 0.78 ALDH1A1 (0.77) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8147117 0.70 KDM4E (0.75) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL15256874 0.68 SAE1 (1.00) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL4785628 0.67 SAE1 (0.76) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8164257 0.67 KDM4E (0.63) KDM4EMEN1KMT2AALDH1A1HPGD

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
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed
US-9073941-B2 Compounds and methods for treating tuberculosis infection ACADEMIA SINICA (TW) 2015-07-07 US disclosed
US-9073941-B2 Compounds and methods for treating tuberculosis infection ACADEMIA SINICA (TW) 2015-07-07 US disclosed
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 US disclosed
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 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-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION TALDO1, PGD, DLD KDM4E 903/4885MEN1 3731/4885KMT2A 2118/4885

“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.