SCHEMBL12524331

SCHEMBL12524331

CCCCOc1cncc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP2D6 P10635 6/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2C9 P11712 3/20 0.43
CYP19A1 P11511 2/20 0.43
CYP2C19 P33261 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 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
SCHEMBL12524395 0.84 CYP11B1 (0.51) CYP11B1CYP11B2CHRNB2CHRNA3
SCHEMBL13570988 0.82 TDP1 (0.45) CYP11B1CYP11B2CHRNB2
SCHEMBL17672737 0.81 CYP11B1 (0.41) CYP11B1CYP11B2CHRNB2CHRNA3
SCHEMBL5159167 0.78 MMP2 (0.49) CYP11B1CYP11B2TSHR
SCHEMBL25223646 0.78 CYP11B1 (0.37) KDM4EHPGDALDH1A1HTTCYP11B1
SCHEMBL4942100 0.76 ALDH1A1 (0.59) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL25617440 0.76 CYP11B1 (0.36) CYP11B1CYP11B2CHRNB2CHRNA3
SCHEMBL16959055 0.76 KDM4E (0.46) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL7926658 0.75 PLA2G2A (0.59) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL14473815 0.75 CYP2D6 (0.46) CYP2D6CYP3A4CYP2C9CYP19A1CYP2C19

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
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
EP-2686320-B1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 WO disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B KDM4E 2371/4885HPGD 223/4885ALDH1A1 1898/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B KDM4E 2335/4885HPGD 168/4885ALDH1A1 1726/4885

“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.