SCHEMBL4490296

SCHEMBL4490296

O=C(O)c1ccc2nc(NCC3(F)CCNCC3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
APEX1 P27695 1/20 0.44
POLB P06746 1/20 0.43
NR4A2 P43354 1/20 0.43
ABL1 P00519 4/20 0.42
EGLN1 Q9GZT9 1/20 0.41
TOP2A P11388 1/20 0.41
PIK3CA P42336 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
CHEK2 O96017 2/20 0.40
ABCC4 O15439 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
Hydrochloric Acid SCHEMBL4496250 0.87 ALDH1A1 (0.49) HDAC6ABL1ALDH1A1MAPK1ABCC4
SCHEMBL4496248 0.80 CSNK1E (0.43) SMN1; SMN2ALDH1A1MAPK1LMNAHTT
Hydrochloric Acid SCHEMBL4496242 0.79 CSNK1E (0.42) SMN1; SMN2ALDH1A1MAPK1LMNAHTT
SCHEMBL5241965 0.72 RIPK1 (0.60) HDAC6NPSR1SMN1; SMN2HSP90AA1ESR2
SCHEMBL5242659 0.71 NPSR1 (0.51) HDAC6NPSR1SMN1; SMN2HSP90AA1ESR2
SCHEMBL20819207 0.71 HSP90AA1 (0.60) HDAC6NPSR1SMN1; SMN2HSP90AA1ESR2
Hydrochloric Acid SCHEMBL4496092 0.69 KDM1A (0.38) SMN1; SMN2ALDH1A1LMNAKDRHTT
SCHEMBL30174415 0.69 HSP90AA1 (0.48) NPSR1SMN1; SMN2HSP90AA1ESR2TDP1
SCHEMBL2930881 0.68 POLB (0.62) HDAC6NPSR1SMN1; SMN2HSP90AA1ESR2
SCHEMBL2931563 0.68 POLB (0.69) HDAC6NPSR1SMN1; SMN2HSP90AA1ESR2

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-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
EP-1505067-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-09 EP 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-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 HDAC6 565/4885NPSR1 1558/4885SMN1; SMN2 4687/4885

“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.