SCHEMBL9923049

SCHEMBL9923049

CC(Br)c1nnc(-c2ccccn2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 5/20 0.48
PKM P14618 3/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HSD17B10 Q99714 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 4/20 0.43
LMNA P02545 4/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.42
GUSB P08236 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 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
SCHEMBL15398916 1.00 KDM4E (0.48) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL11965505 0.87 HTT (0.53) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL9902684 0.84 KDM4E (0.55) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL10736543 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL17225269 0.84 KDM4E (0.55) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL17225320 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL10553462 0.78 KDM4E (0.59) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL19143241 0.78 FAAH (0.47) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL25374503 0.74 KDM4E (0.50) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL11982529 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDPKMNPC1

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-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
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
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-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US 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-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 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
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 KDM4E 313/4885ALDH1A1 2446/4885HPGD 900/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 KDM4E 298/4885ALDH1A1 2322/4885HPGD 745/4885

“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.