SCHEMBL17414404

SCHEMBL17414404

[2H][C@@H](CCCN=[N+]=[N-])c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 4/20 0.38
▸ NAAA Q02083 3/20 0.37
▸ HTR3A P46098 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ TRPA1 O75762 1/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP2A13 Q16696 1/20 0.33
▸ EPAS1 Q99814 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL15995452 1.00 MIF (0.38) MIFNAAAHTR3AGAATRPA1
SCHEMBL15907593 0.84 MIF (0.53) MIFNAAAHTR3AADRB2SIGMAR1
SCHEMBL26661891 0.82 NAAA (0.55) MIFNAAAHTR3ASIGMAR1MAOA
SCHEMBL28384138 0.82 NAAA (0.55) MIFNAAAHTR3ASIGMAR1MAOA
SCHEMBL15994916 0.82 NAAA (0.55) MIFNAAAHTR3ASIGMAR1MAOA
SCHEMBL13698943 0.82 NAAA (0.55) MIFNAAAHTR3ASIGMAR1MAOA
SCHEMBL13526333 0.82 HTR3A (0.53) MIFNAAAHTR3ASIGMAR1MAOA
SCHEMBL13460499 0.77 HIF1A (0.48) MIFHTR3AGAATRPA1CYP2E1
SCHEMBL25143317 0.73 TSHR (0.47) NAAATSHR
SCHEMBL16674489 0.73 ADRB2 (0.49) MIFNAAAHIF1AADRB2ALDH1A1

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 4 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-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-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

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 MIF 1537/4885NAAA 102/4885HTR3A 1129/4885
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH MIF 1537/4885NAAA 102/4885HTR3A 1129/4885

“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.

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