SCHEMBL621789

SCHEMBL621789

COC(=O)[C@H]1CC[C@H](N(C)Cc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
ATM Q13315 1/20 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
SCHEMBL621791 1.00 MEN1 (0.42) MEN1KMT2ASMN1; SMN2TAS2R14GAA
SCHEMBL1739346 0.80 GAA (0.42) MEN1KMT2ASMN1; SMN2GAATSHR
SCHEMBL622080 0.79 KCNH2 (0.57) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL622082 0.79 KCNH2 (0.57) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL31455034 0.78 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2GAATSHR
SCHEMBL8949097 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL25928005 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL31455336 0.77 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2GAATSHR
SCHEMBL31455549 0.77 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2GAATSHR
SCHEMBL619732 0.76 SLC6A2 (0.50) KMT2A

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 MEN1 907/4885KMT2A 3611/4885SMN1; SMN2 3721/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MEN1 2968/4885KMT2A 3261/4885SMN1; SMN2 3912/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MEN1 2968/4885KMT2A 3261/4885SMN1; SMN2 3912/4885

“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.