SCHEMBL620118

SCHEMBL620118

COc1ccc2ncc(SCCN3CC[C@@H](NC(=O)c4ccc5c(c4)NC(=O)CS5)[C@H](CO)C3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KCNH2 Q12809 6/20 0.36
POLB P06746 1/20 0.36
HPGDS O60760 4/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.34

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
SCHEMBL621982 0.90 KMT2A (0.40) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL15662274 0.89 KCNH2 (0.39) KCNH2
SCHEMBL622262 0.89 KMT2A (0.42) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL621992 0.89 KMT2A (0.42) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL619908 0.82 ALDH1A1 (0.38) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL620152 0.79 HPGD (0.46) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL622330 0.79 KCNH2 (0.43) KCNH2
SCHEMBL621354 0.79 MCHR1 (0.40) KCNH2HPGDS
SCHEMBL620001 0.78 KMT2A (0.41) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL3792033 0.78 KMT2A (0.41) KMT2AHPGDNPC1RAB9AALDH1A1

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 KMT2A 3611/4885HPGD 3555/4885NPC1 832/4885

“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.