SCHEMBL622728

SCHEMBL622728

O=C1CSc2ccc(C(=O)NC3CCN(CCOc4cnc5ccc(OC(F)F)cc5n4)CC3)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HPGDS O60760 3/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
HTR7 P34969 2/20 0.37
KCNH2 Q12809 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL620405 0.92 HPGD (0.47) HPGDHPGDSKMT2ANPC1RAB9A
SCHEMBL619652 0.91 HPGD (0.44) HPGDHPGDSKMT2ANPC1RAB9A
SCHEMBL622667 0.91 HPGD (0.44) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL622012 0.90 HPGD (0.43) HPGDHPGDSKMT2ANPC1RAB9A
SCHEMBL619993 0.89 HPGD (0.45) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL622735 0.89 HPGD (0.44) HPGDHPGDSKMT2ANPC1RAB9A
SCHEMBL619404 0.88 HPGD (0.47) HPGDHPGDSKMT2ANPC1RAB9A
SCHEMBL622668 0.87 HPGD (0.44) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL621348 0.86 EIF4H (0.43) HPGDKMT2ANPC1RAB9AMAPT
SCHEMBL622117 0.84 HPGD (0.48) HPGDHPGDSKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP 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 HPGD 3555/4885HPGDS 3655/4885KMT2A 3611/4885

“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.