SCHEMBL14804875

SCHEMBL14804875

C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/[C@@H](C)C2CCCCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15840503 0.83 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL1002830 0.82 GABRA1 (0.41) KMT2A
SCHEMBL808792 0.82 GABRA1 (0.41) KMT2A
SCHEMBL27608902 0.80 GABRA1 (0.40) KMT2A
SCHEMBL5589413 0.80 GABRA1 (0.40) KMT2A
Hydrochloric Acid SCHEMBL1685885 0.79 GABRA1 (0.39) KMT2A
Hydrochloric Acid SCHEMBL7171618 0.79 GABRA1 (0.39) KMT2A
Hydrochloric Acid SCHEMBL6909108 0.79 GABRA1 (0.39) KMT2A
Hydrochloric Acid SCHEMBL6915966 0.79 GABRA1 (0.39) KMT2A
Hydrochloric Acid SCHEMBL1575632 0.79 GABRA1 (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394325-B2 Enantiopure base-metal catalysts for asymmetric catalysis and bis(imino)pyridine iron alkyl complexes for catalysis THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-07-19 US disclosed
US-20130079567-A1 ENANTIOPURE BASE-METAL CATALYSTS FOR ASYMMETRIC CATALYSIS AND BIS(IMINO)PYRIDINE IRON ALKYL COMPLEXES FOR CATALYSIS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-28 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 (1 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-20130079567-A1 ENANTIOPURE BASE-METAL CATALYSTS FOR ASYMMETRIC CATALYSIS AND BIS(IMINO)PYRIDINE IRON ALKYL COMPLEXES FOR CATALYSIS FECH, PARG, DOHH METAP2 2097/4885METAP1 2216/4885MEN1 656/4885

“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.