SCHEMBL1246964

SCHEMBL1246964

NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.77
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
ALDH1A1 P00352 4/20 0.65
PLA2G7 Q13093 1/20 0.64
LMNA P02545 2/20 0.63
HTT P42858 3/20 0.62
USP2 O75604 1/20 0.60
MAPK1 P28482 2/20 0.59
ABL1 P00519 1/20 0.59
BCR P11274 1/20 0.59
HSD11B1 P28845 1/20 0.58
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL20804546 0.92 SMN1; SMN2 (0.90) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL10183423 0.87 SMN1; SMN2 (0.77) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL3081883 0.85 SMN1; SMN2 (0.79) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL4387885 0.85 SMN1; SMN2 (0.90) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL31065708 0.85 SMN1; SMN2 (0.90) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL3088389 0.84 SMN1; SMN2 (0.77) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL13504009 0.84 SMN1; SMN2 (0.77) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL29944047 0.83 SMN1; SMN2 (0.87) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL3088392 0.83 SMN1; SMN2 (0.74) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL2336862 0.81 SMN1; SMN2 (0.71) SMN1; SMN2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
EP-2286221-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Cayman Chemical Company (US) 2011-02-23 EP disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
WO-2009140364-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 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-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, HPGD, GMDS SMN1; SMN2 3401/4885CA12 4285/4885CA1 2474/4885

“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.