SCHEMBL6507428

SCHEMBL6507428

COC(=O)c1ccc(F)c(N2CCC(Nc3ncccn3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
BPTF Q12830 1/20 0.43
EPHX2 P34913 1/20 0.41
RBP4 P02753 1/20 0.41
TTR P02766 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL382924 0.91 ALDH1A1 (0.48) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6509087 0.88 TTR (0.50) KDM4EEPHX2RBP4TTRHDAC8
SCHEMBL7653004 0.86 NPC1 (0.49) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL446373 0.85 DRD2 (0.49) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6504216 0.80 DRD2 (0.43) KDM4EALDH1A1MAPTHPGDEPHX2
SCHEMBL6508563 0.80 KDM4E (0.54) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL7468744 0.79 CYP1A2 (0.43) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL7475340 0.79 CYP1A2 (0.43) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6507312 0.79 BPTF (0.42) BPTFCNR1DRD2DRD3CNR2
SCHEMBL382601 0.79 OPRK1 (0.41) KDM4EALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846735-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2014-09-30 US claimed
US-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX, INC. (US) 2014-03-13 US claimed
US-8575205-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2013-11-05 US claimed
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES NITZ THEODORE J (US) 2012-07-19 US claimed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 US claimed
US-20050288344-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. 2005-12-29 US claimed
US-8962667-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases Microdose Therapeutix, Inc. (US) 2015-02-24 US disclosed
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX INC (US) 2014-12-11 US disclosed
US-8846735-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2014-09-30 US disclosed
US-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX, INC. (US) 2014-03-13 US disclosed
US-8575205-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2013-11-05 US disclosed
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES NITZ THEODORE J (US) 2012-07-19 US disclosed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 US disclosed
US-20050288344-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. 2005-12-29 US disclosed
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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 (5 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-20050288344-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, ZC3HAV1 KDM4E 4421/4885ALDH1A1 3354/4885NPC1 223/4885
US-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 KDM4E 4421/4885ALDH1A1 3354/4885NPC1 223/4885
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 KDM4E 945/4885ALDH1A1 1967/4885NPC1 3633/4885
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 KDM4E 4421/4885ALDH1A1 3354/4885NPC1 223/4885
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 KDM4E 4421/4885ALDH1A1 3354/4885NPC1 223/4885

“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.