SCHEMBL6029973

SCHEMBL6029973

O=C(O)CC(=O)NCCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
PKM P14618 2/20 0.56
CNR1 P21554 1/20 0.55
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
HSD11B1 P28845 1/20 0.53
MEN1 O00255 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 2/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 2/20 0.52
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL9090227 0.88 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AALDH1A1HTTPKM
Hydrochloric Acid SCHEMBL9677581 0.86 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AALDH1A1HTTPKM
SCHEMBL16353805 0.85 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AALDH1A1HTTPKM
SCHEMBL1694984 0.85 RAB9A (0.62) SMN1; SMN2RAB9AALDH1A1HTTCNR1
SCHEMBL2093615 0.84 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AALDH1A1HTTPKM
Hydrochloric Acid SCHEMBL7603529 0.83 RAB9A (0.61) SMN1; SMN2RAB9AALDH1A1HTTCNR1
SCHEMBL9369229 0.83 SMN1; SMN2 (0.72) SMN1; SMN2RAB9AALDH1A1HTTKMT2A
SCHEMBL9513072 0.82 CA1 (0.51) SMN1; SMN2RAB9AALDH1A1HTTPKM
SCHEMBL27263888 0.81 RAB9A (0.58) SMN1; SMN2RAB9AALDH1A1HTTPKM
SCHEMBL12999538 0.81 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AALDH1A1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 CN disclosed
CN-101367854-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2010-12-29 CN disclosed
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 CN disclosed
CN-101367854-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-02-18 CN disclosed
CN-101289483-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 CN disclosed
CN-101289484-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 CN disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A SMN1; SMN2 2162/4885RAB9A 766/4885ALDH1A1 3345/4885

“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.