SCHEMBL621982

SCHEMBL621982

CCOC(=O)[C@H]1CN(CCSc2cnc3ccc(OC)cc3n2)CC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
KCNH2 Q12809 3/20 0.35
HPGDS O60760 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL620118 0.90 KMT2A (0.41) KMT2ANPC1RAB9AHPGDPOLB
SCHEMBL3792033 0.89 KMT2A (0.41) KMT2ANPC1RAB9AHPGDPOLB
SCHEMBL620001 0.89 KMT2A (0.41) KMT2ANPC1RAB9AHPGDPOLB
SCHEMBL619908 0.80 ALDH1A1 (0.38) KMT2ANPC1RAB9AHPGDPOLB
SCHEMBL15662274 0.80 KCNH2 (0.39) KCNH2
SCHEMBL622262 0.78 KMT2A (0.42) KMT2ANPC1RAB9AHPGDPOLB
SCHEMBL621992 0.78 KMT2A (0.42) KMT2ANPC1RAB9AHPGDPOLB
SCHEMBL620152 0.78 HPGD (0.46) KMT2ANPC1RAB9AHPGDPOLB
SCHEMBL622437 0.78 CPB1 (0.40) KMT2AHPGDMAPTMEN1ALDH1A1
SCHEMBL622330 0.77 KCNH2 (0.43) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
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 (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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 KMT2A 3611/4885NPC1 832/4885RAB9A 3837/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885NPC1 745/4885RAB9A 2337/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885NPC1 745/4885RAB9A 2337/4885

“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.