SCHEMBL3714554

SCHEMBL3714554

CCOC(=O)C(Cc1c(N)cccc1F)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 3/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 1/20 0.40
NLRP3 Q96P20 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CHEK1 O14757 1/20 0.39
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5736978 0.89 KMT2A (0.50) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL18698097 0.86 KMT2A (0.44) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL5737042 0.83 KMT2A (0.48) KMT2AALDH1A1KDM4ETSHRPOLB
SCHEMBL13724813 0.82 KMT2A (0.45) KMT2AALDH1A1KDM4EHSD17B10POLB
SCHEMBL3714556 0.79 MAPT (0.40) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL20002727 0.78 MMP8 (0.41) KMT2AALDH1A1KDM4ETSHRMMP8
SCHEMBL3718145 0.78 L3MBTL1 (0.49) KMT2AALDH1A1KDM4EGAAMEN1
SCHEMBL1065575 0.77 KMT2A (0.48) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL27713100 0.77 CYP4F2 (0.47) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL1246314 0.76 KMT2A (0.63) KMT2AALDH1A1KDM4ETSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
EP-2701512-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-05 EP disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
WO-2012148808-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-01 WO disclosed
WO-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 WO disclosed
WO-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 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-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 KMT2A 2513/4885ALDH1A1 3573/4885KDM4E 3192/4885
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 KMT2A 3527/4885ALDH1A1 290/4885KDM4E 2899/4885

“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.