SCHEMBL620367

SCHEMBL620367

COC(=O)C1CCC(NCCSc2cccs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
PDE7A Q13946 1/20 0.38
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHRM1 P11229 1/20 0.34
KCNH2 Q12809 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 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
SCHEMBL620366 1.00 ALDH1A1 (0.38) ALDH1A1KDM4ECHRM2CHRM5CHRM3
SCHEMBL11999864 0.79 KDM4E (0.47) ALDH1A1KDM4ECHRM2CHRM5CHRM3
SCHEMBL15913637 0.75 MMP1 (0.36) HPGDMAPTKMT2APOLBNPC1
SCHEMBL2799697 0.74 DRD2 (0.44) ALDH1A1KDM4ECHRM2CHRM5CHRM3
SCHEMBL8949095 0.70 TAAR1 (0.61) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL8417000 0.68 TP53 (0.40) ALDH1A1POLBSMN1; SMN2
SCHEMBL8417002 0.68 TP53 (0.40) ALDH1A1POLBSMN1; SMN2
SCHEMBL5044518 0.68 HPGD (0.54) ALDH1A1KDM4EHPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL9175964 0.68 OPRM1 (0.55) ALDH1A1HPGDMAPTHSD17B10NPSR1
SCHEMBL2405274 0.67 ALDH1A1 (0.52) ALDH1A1HPGDMAPTKMT2ARAB9A

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 8 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
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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 (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 ALDH1A1 4235/4885KDM4E 3573/4885CHRM2 57/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885KDM4E 3095/4885CHRM2 605/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885KDM4E 3095/4885CHRM2 605/4885

“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.