SCHEMBL620001

SCHEMBL620001

CCOC(=O)[C@@H]1CN(CCOc2cnc3ccc(OC)cc3n2)CC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
POLB P06746 2/20 0.36
HPGDS O60760 1/20 0.35
TP53 P04637 2/20 0.35
CASP1 P29466 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 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
SCHEMBL3792033 1.00 KMT2A (0.41) KMT2AHPGDNPC1RAB9AMAPT
SCHEMBL622262 0.89 KMT2A (0.42) KMT2AHPGDNPC1RAB9AMAPT
SCHEMBL621992 0.89 KMT2A (0.42) KMT2AHPGDNPC1RAB9AMAPT
SCHEMBL621982 0.89 KMT2A (0.40) KMT2AHPGDNPC1RAB9AMAPT
SCHEMBL620405 0.87 HPGD (0.47) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL622117 0.86 HPGD (0.48) KMT2AHPGDNPC1RAB9AMAPT
SCHEMBL622667 0.84 HPGD (0.44) KMT2AHPGDNPC1RAB9AMAPT
SCHEMBL622660 0.82 HPGD (0.47) KMT2AHPGDNPC1RAB9AMAPT
SCHEMBL619404 0.82 HPGD (0.47) KMT2AHPGDNPC1RAB9AMAPT
SCHEMBL619652 0.81 HPGD (0.44) KMT2AHPGDNPC1RAB9AMAPT

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 3611/4885HPGD 3555/4885NPC1 832/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885HPGD 4450/4885NPC1 745/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885HPGD 4450/4885NPC1 745/4885

“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.