SCHEMBL621348

SCHEMBL621348

O=C1CSc2ccc(C(=O)NC3CCN(CCOc4cnc5ccc([N+](=O)[O-])cc5n4)CC3)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4H Q15056 1/20 0.43
HPGD P15428 1/20 0.42
DRD4 P21917 1/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL619993 0.91 HPGD (0.45) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL620405 0.88 HPGD (0.47) HPGDDRD4KMT2ANPC1RAB9A
SCHEMBL619652 0.87 HPGD (0.44) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL622668 0.87 HPGD (0.44) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL622667 0.87 HPGD (0.44) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL622728 0.86 HPGD (0.42) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL622012 0.86 HPGD (0.43) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL622735 0.85 HPGD (0.44) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL619404 0.85 HPGD (0.47) HPGDDRD4KMT2ANPC1RAB9A
SCHEMBL621668 0.81 HPGD (0.46) HPGDKMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 EIF4H 1015/4885HPGD 3555/4885DRD4 295/4885

“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.