SCHEMBL3927686

SCHEMBL3927686

O=C(c1cc(Br)cc(Br)c1)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 2/20 0.40
SMARCA2 P51531 3/20 0.38
SMARCA4 P51532 2/20 0.38
RECQL P46063 1/20 0.38
PROKR1 Q8TCW9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PREP P48147 1/20 0.35
RAB9A P51151 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL27623752 0.87 RECQL (0.47) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL20892408 0.86 LMNA (0.59) LMNATAS1R3TAS1R1TAS1R2SMARCA2
SCHEMBL3931584 0.82 SMARCA2 (0.39) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL3937437 0.81 CYP3A4 (0.38) LMNATAS1R3TAS1R1TAS1R2SMARCA2
SCHEMBL4227036 0.79 KMT2A (0.57) KDM4EALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL10633345 0.79 SRD5A2 (0.52) TAS1R3TAS1R1TAS1R2PROKR1SMN1; SMN2
SCHEMBL4783533 0.77 PARP1 (0.47) RECQLALDH1A1RAB9AMAPTPOLB
SCHEMBL4736651 0.77 HTT (0.41) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL4794242 0.77 PIK3CD (0.45) FTO
SCHEMBL10633305 0.76 LTA4H (0.59) LMNATAS1R3TAS1R1TAS1R2KDM4E

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
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 LMNA 3506/4885TAS1R3 1570/4885TAS1R1 1908/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 LMNA 3462/4885TAS1R3 1700/4885TAS1R1 2041/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 LMNA 2503/4885TAS1R3 971/4885TAS1R1 1059/4885

“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.