SCHEMBL3602724

SCHEMBL3602724

O=C(N[C@@H]1CCNC1)c1cc2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPT P10636 2/20 0.54
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 1/20 0.52
MLLT1 Q03111 1/20 0.50
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
EPHX1 P07099 1/20 0.47
KDR P35968 1/20 0.46
HDAC3 O15379 1/20 0.46
LGALS8 O00214 1/20 0.46
LGALS3 P17931 1/20 0.46
SMYD3 Q9H7B4 2/20 0.45
IDO1 P14902 1/20 0.45
HTR2C P28335 1/20 0.44
SCN9A Q15858 1/20 0.44
GHSR Q92847 1/20 0.42

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
SCHEMBL3602726 1.00 KDM4E (0.61) KDM4EGAAKMT2AMAPTHDAC1
Trifluoroacetic Acid SCHEMBL3598968 0.96 KDM4E (0.57) KDM4EGAAKMT2AMAPTHDAC1
SCHEMBL3596425 0.94 KDM4E (0.59) KDM4EGAAKMT2AMAPTHDAC1
SCHEMBL3596423 0.94 KDM4E (0.59) KDM4EGAAKMT2AMAPTHDAC1
SCHEMBL3610359 0.86 KDM4E (0.56) KDM4EGAAKMT2AMAPTHDAC1
SCHEMBL3610362 0.86 KDM4E (0.56) KDM4EGAAKMT2AMAPTHDAC1
SCHEMBL3610530 0.82 MLLT1 (0.73) KDM4EKMT2AHDAC1HDAC2MLLT1
SCHEMBL3610534 0.82 MLLT1 (0.73) KDM4EKMT2AHDAC1HDAC2MLLT1
Trifluoroacetic Acid SCHEMBL3612661 0.80 GHSR (0.52) KDM4EHDAC1HDAC2MLLT1KDR
Trifluoroacetic Acid SCHEMBL3615735 0.80 MLLT1 (0.49) HDAC1HDAC2MLLT1KDRHDAC3

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.