SCHEMBL622347

SCHEMBL622347

COc1ccc2nccnc2c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
SYK P43405 1/20 0.40
GFER P55789 1/20 0.40
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NQO2 P16083 1/20 0.39
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL18754399 0.80 MEN1 (0.64) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL28042221 0.78 MEN1 (0.45) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL16506422 0.78 MEN1 (0.57) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL8395246 0.78 MEN1 (0.57) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL10780561 0.75 MEN1 (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29463681 0.75 MAPT (0.50) KMT2AMEN1LMNANPC1SMN1; SMN2
SCHEMBL30335572 0.75 MAPT (0.50) KMT2AMEN1LMNANPC1SMN1; SMN2
SCHEMBL87693 0.75 MAPT (0.50) KMT2AMEN1LMNANPC1SMN1; SMN2
SCHEMBL622763 0.73 NQO2 (0.55) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL30596999 0.73 NQO2 (0.55) KMT2AMEN1LMNANPC1RAB9A

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 3611/4885MEN1 907/4885LMNA 991/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885MEN1 2968/4885LMNA 1116/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885MEN1 2968/4885LMNA 1116/4885

“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.