SCHEMBL3305133

SCHEMBL3305133

CCCCNC/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
PRMT1 Q99873 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.46
EGFR P00533 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
HTR2A P28223 2/20 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
SCHEMBL3305137 1.00 HDAC3 (0.49) HDAC3PRMT1RAB9AHTTEGFR
SCHEMBL11033807 0.95 EGFR (0.51) HDAC3PRMT1RAB9AHTTEGFR
SCHEMBL29196142 0.93 EGFR (0.54) HDAC3PRMT1RAB9AHTTEGFR
SCHEMBL6668098 0.93 EGFR (0.54) HDAC3PRMT1RAB9AHTTEGFR
SCHEMBL29196143 0.93 EGFR (0.54) HDAC3PRMT1RAB9AHTTEGFR
SCHEMBL10626637 0.93 EGFR (0.54) HDAC3PRMT1RAB9AHTTEGFR
SCHEMBL9779076 0.93 EGFR (0.54) HDAC3PRMT1RAB9AHTTEGFR
Ammonia Solution, Strong SCHEMBL18037670 0.92 EGFR (0.52) HDAC3PRMT1RAB9AHTTEGFR
Hydrochloric Acid SCHEMBL8663857 0.92 EGFR (0.52) HDAC3PRMT1RAB9AHTTEGFR
SCHEMBL3299029 0.89 RAB9A (0.50) HDAC3PRMT1RAB9AEGFRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724682-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-9724682-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-16 US disclosed
US-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-16 US disclosed
US-9487472-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-08 US disclosed
US-9487472-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-08 US disclosed
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD (US) 2016-01-07 US disclosed
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD (US) 2016-01-07 US disclosed
WO-2014134141-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-04 WO disclosed
US-8399594-B2 Blocked-isocyanate silicone resins DOW CORNING CORPORATION (US) 2013-03-19 US disclosed
US-20100093902-A1 Blocked-Isocyanate Silicone Resins DOW CORNING CORPORATION 2010-04-15 US disclosed
EP-2102286-A1 BLOCKED ISOCYANATE SILICONE RESINS Dow Corning Corporation (US) 2009-09-23 EP disclosed
WO-2008088492-A1 BLOCKED ISOCYANATE SILICONE RESINS DOW CORNING CORPORATRION (US) 2008-07-24 WO disclosed
US-20070167587-A1 Process for producing polymer with functional end KURARAY CO., LTD. (JP) 2007-07-19 US disclosed
EP-1721912-A1 PROCESS FOR PRODUCING POLYMER WITH FUNCTIONAL END KURARAY CO., LTD. (JP) 2006-11-15 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 (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-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH HDAC3 1698/4885PRMT1 185/4885RAB9A 3517/4885
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH HDAC3 1698/4885PRMT1 185/4885RAB9A 3517/4885

“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.