SCHEMBL2095740

SCHEMBL2095740

[CH2]NCc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
GAA P10253 1/20 0.44
ACHE P22303 6/20 0.43
BCHE P06276 2/20 0.43
BACE1 P56817 2/20 0.43
BCDIN3D Q7Z5W3 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL25588073 0.80 IDO1 (0.50) KDM4ESMN1; SMN2IDO1AGXTGAA
SCHEMBL1757600 0.78 IDO1 (0.53) KDM4ESMN1; SMN2IDO1AGXTGAA
SCHEMBL28309519 0.78 IDO1 (0.48) KDM4ESMN1; SMN2IDO1AGXTGAA
SCHEMBL2095744 0.78 SLC6A4 (0.49) KDM4ESMN1; SMN2IDO1AGXTGAA
SCHEMBL15821526 0.78 KDM4E (0.52) KDM4ESMN1; SMN2IDO1AGXTGAA
SCHEMBL19157551 0.78 IDO1 (0.48) KDM4ESMN1; SMN2IDO1AGXTGAA
SCHEMBL24186105 0.78 IDO1 (0.44) KDM4ESMN1; SMN2IDO1AGXTGAA
Hydrochloric Acid SCHEMBL15065821 0.77 IDO1 (0.55) KDM4ESMN1; SMN2IDO1AGXTGAA
Hydrochloric Acid SCHEMBL21332846 0.77 IDO1 (0.55) KDM4ESMN1; SMN2IDO1AGXTGAA
Hydrochloric Acid SCHEMBL29289846 0.77 IDO1 (0.50) KDM4ESMN1; SMN2IDO1AGXTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 KDM4E 4269/4885SMN1; SMN2 2135/4885IDO1 548/4885

“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.