SCHEMBL3596423

SCHEMBL3596423

O=C(N[C@@H]1CCCNC1)c1cc2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
MLLT1 Q03111 1/20 0.54
MAPT P10636 2/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 1/20 0.51
GHSR Q92847 3/20 0.46
CYP1A2 P05177 1/20 0.46
BTK Q06187 4/20 0.45
HDAC3 O15379 1/20 0.45
LGALS8 O00214 1/20 0.44
LGALS3 P17931 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL3596425 1.00 KDM4E (0.59) KDM4EGAAKMT2AMLLT1MAPT
SCHEMBL3602726 0.94 KDM4E (0.61) KDM4EGAAKMT2AMLLT1MAPT
SCHEMBL3602724 0.94 KDM4E (0.61) KDM4EGAAKMT2AMLLT1MAPT
Trifluoroacetic Acid SCHEMBL3598968 0.90 KDM4E (0.57) KDM4EGAAKMT2AMLLT1MAPT
SCHEMBL3607033 0.81 KDM4E (0.59) KDM4EMLLT1MAPTHDAC1HDAC2
SCHEMBL3607029 0.81 KDM4E (0.59) KDM4EMLLT1MAPTHDAC1HDAC2
SCHEMBL3610362 0.80 KDM4E (0.56) KDM4EGAAKMT2AMLLT1MAPT
SCHEMBL3610359 0.80 KDM4E (0.56) KDM4EGAAKMT2AMLLT1MAPT
SCHEMBL3607328 0.79 MLLT1 (0.54) KDM4EGAAMLLT1GHSRCYP1A2
SCHEMBL3320273 0.79 MLLT1 (0.54) KDM4EGAAMLLT1GHSRCYP1A2

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT KDM4E 963/4885GAA 2467/4885KMT2A 236/4885

“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.