SCHEMBL3544080

SCHEMBL3544080

COc1ccc(N)cc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NR4A1 P22736 1/20 0.47
ALDH1A1 P00352 5/20 0.46
USP2 O75604 1/20 0.46
CYP19A1 P11511 2/20 0.44
LMNA P02545 1/20 0.44
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38

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
SCHEMBL30038200 1.00 KDM4E (0.49) KDM4EMAPTGAATSHRMAPK1
SCHEMBL3597728 0.92 MAPT (0.53) KDM4EMAPTGAATSHRMAPK1
SCHEMBL9367414 0.88 GAA (0.40) KDM4EMAPTGAATSHRMAPK1
SCHEMBL9367884 0.84 KDM4E (0.45) KDM4EMAPTGAATSHRMAPK1
SCHEMBL2438047 0.81 KDM4E (0.67) KDM4EMAPTGAATSHRMAPK1
SCHEMBL77823 0.81 KDM4E (0.67) KDM4EMAPTGAATSHRMAPK1
SCHEMBL29377777 0.81 KDM4E (0.67) KDM4EMAPTGAATSHRMAPK1
SCHEMBL20681623 0.79 MAPT (0.51) KDM4EMAPTGAATSHRMAPK1
Ammonia Solution, Strong SCHEMBL5361377 0.79 KDM4E (0.64) KDM4EMAPTGAATSHRMAPK1
Methane SCHEMBL27340305 0.79 KDM4E (0.64) KDM4EMAPTGAATSHRMAPK1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658138-B1 SUBSTITUTED-3H-IMIDAZO(4,5-C)PYRIDINE AND 1H-PYRROLO(2,3-C)PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHSPHATASE/PHOSPHODIESTRASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATOR AS CANCER IMMUNOTHERAPEUTICS STINGRAY THERAPEUTICS INC (US) 2023-04-19 EP disclosed
EP-3436436-B1 SUBSTITUTED INDOLINE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2022-05-11 EP disclosed
EP-3436436-B1 SUBSTITUTED INDOLINE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2022-05-11 EP disclosed
US-11180450-B2 Substituted indoline derivatives as dengue viral replication inhibitors Janssen Pharmaceuticals, Inc. (US) 2021-11-23 US disclosed
US-11180450-B2 Substituted indoline derivatives as dengue viral replication inhibitors Janssen Pharmaceuticals, Inc. (US) 2021-11-23 US disclosed
EP-3907218-A1 6-OXO-1,6-DIHYDROPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-11-10 EP disclosed
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. (US) 2021-10-12 US disclosed
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. (US) 2021-10-12 US disclosed
US-11083707-B2 Substituted indoline derivatives as dengue viral replication inhibitors Janssen Pharmaceuticals, Inc. (US) 2021-08-10 US disclosed
US-11083707-B2 Substituted indoline derivatives as dengue viral replication inhibitors Janssen Pharmaceuticals, Inc. (US) 2021-08-10 US disclosed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20100048569-A1 DIAZOLE DERIVATIVES BUETTELMANN BERND 2010-02-25 US disclosed
EP-1756086-B1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1756086-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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 (6 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-20100048569-A1 DIAZOLE DERIVATIVES GRM1, GRM2, GRIN2B KDM4E 2704/4885MAPT 1397/4885GAA 1279/4885
US-20060030559-A1 Diazole derivatives GRM1, GRM2, GRIN2B KDM4E 2704/4885MAPT 1397/4885GAA 1279/4885
US-11180450-B2 Substituted indoline derivatives as dengue viral replication inhibitors IDO1, INMT, IRF3 KDM4E 1020/4885MAPT 1807/4885GAA 2965/4885
US-11083707-B2 Substituted indoline derivatives as dengue viral replication inhibitors IDO1, IRF3, INMT KDM4E 993/4885MAPT 1818/4885GAA 2865/4885
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics STING1, ENPP1, CGAS KDM4E 1284/4885MAPT 4738/4885GAA 607/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE KDM4E 2323/4885MAPT 3703/4885GAA 19/4885

“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.