SCHEMBL15399007

SCHEMBL15399007

BrCc1cc(-c2ncccn2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.37
RAB9A P51151 9/20 0.37
NPC1 O15118 8/20 0.37
SMN1; SMN2 Q16637 7/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL17225691 0.81 RET (0.38) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL9901587 0.80 CA12 (0.49) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL17225288 0.77 RAB9A (0.44) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4981360 0.73 NOTUM (0.68) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL15029059 0.68 CA12 (0.49) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL9901314 0.67 CA12 (0.47) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL8576421 0.67 MEN1 (0.55) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3688842 0.67 NOTUM (0.70) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL102268 0.67 RAB9A (0.54) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL11849077 0.65 NPC1 (0.42) RAB9ANPC1STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-2673285-B1 KETOLIDE COMPOUNDS WOCKHARDT LTD (IN) 2017-07-19 EP disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
US-20140005133-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2014-01-02 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 (2 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-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 NOTUM 2272/4885RAB9A 891/4885NPC1 452/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 NOTUM 1954/4885RAB9A 1143/4885NPC1 458/4885

“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.