SCHEMBL4559263

SCHEMBL4559263

O=C(NCc1ccc(F)cc1)N1CCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.63
ALDH1A1 P00352 2/20 0.63
TSHR P16473 1/20 0.63
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
NPC1 O15118 1/20 0.62
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.51
TPSAB1 Q15661 2/20 0.51
TPSD1 Q9BZJ3 2/20 0.51
TPSG1 Q9NRR2 2/20 0.51
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50

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
SCHEMBL5956394 0.86 TP53 (0.59) TP53ALDH1A1TSHRKMT2AMEN1
SCHEMBL5474021 0.86 MEN1 (0.76) TP53ALDH1A1TSHRKMT2AMEN1
SCHEMBL4670795 0.86 TP53 (0.59) TP53ALDH1A1TSHRKMT2AMEN1
SCHEMBL7095416 0.84 ALDH1A1 (0.68) TP53ALDH1A1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL28550900 0.84 TP53 (0.58) TP53ALDH1A1TSHRKMT2AMEN1
SCHEMBL7095047 0.83 ALDH1A1 (0.67) TP53ALDH1A1TSHRKMT2AMEN1
SCHEMBL5800630 0.83 KDM4E (0.69) TP53ALDH1A1TSHRKMT2AMEN1
SCHEMBL23252438 0.80 KMT2A (0.55) KMT2AMEN1NPC1TPSAB1TPSD1
SCHEMBL3126965 0.80 NPC1 (0.57) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL7223688 0.80 MEN1 (0.51) TP53KMT2AMEN1TPSAB1TPSD1

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TP53 2773/4885ALDH1A1 240/4885TSHR 4657/4885

“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.