SCHEMBL9901313

SCHEMBL9901313

CC(Br)c1cc(-c2ccccn2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 4/20 0.47
CCR1 P32246 3/20 0.47
CCR5 P51681 3/20 0.47
CCR8 P51685 3/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
DOHH Q9BU89 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 6/20 0.41
RAB9A P51151 6/20 0.41
PKM P14618 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALOX15 P16050 2/20 0.41

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
SCHEMBL10161093 0.86 HTT (0.54) HTTKDM4ELMNACCR1CCR5
SCHEMBL9902303 0.83 HTT (0.47) HTTKDM4ELMNACCR1CCR5
SCHEMBL17225292 0.81 HTT (0.45) HTTKDM4ELMNACCR1CCR5
SCHEMBL17225312 0.81 HTT (0.45) HTTKDM4ELMNACCR1CCR5
SCHEMBL17225287 0.81 HTT (0.45) HTTKDM4ELMNACCR1CCR5
SCHEMBL3789967 0.75 KDM4E (0.54) HTTKDM4ELMNACCR1CCR5
SCHEMBL15142095 0.74 CA12 (0.46) HTTKDM4ELMNACCR1CCR5
SCHEMBL17604408 0.74 NPC1 (0.46) HTTKDM4ELMNACCR1CCR5
SCHEMBL15398721 0.74 NPC1 (0.46) HTTKDM4ELMNACCR1CCR5
SCHEMBL27594434 0.73 KDM4E (0.42) HTTKDM4ELMNACCR1CCR5

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 7 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
EP-2673285-A1 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2013-12-18 EP disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 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 (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 HTT 1338/4885KDM4E 313/4885LMNA 4283/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 HTT 1482/4885KDM4E 298/4885LMNA 4118/4885

“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.