SCHEMBL4499593

SCHEMBL4499593

Cc1cc(C(F)(F)F)cnc1N1CCC(N)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
KDM1A O60341 1/20 0.44
KCNH2 Q12809 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SSTR2 P30874 1/20 0.43
MAPT P10636 6/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
AKT2 P31751 1/20 0.41
HPGD P15428 2/20 0.41
IDH2 P48735 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL4497455 0.92 AKT1 (0.46) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL4497461 0.92 AKT1 (0.46) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL15810130 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL31140854 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL3824884 0.85 POLB (0.46) SMN1; SMN2LMNAPOLBKCNH2MEN1
SCHEMBL1350989 0.84 POLB (0.66) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL22186381 0.83 PTGS1 (0.47) KCNH2IDH2
Hydrochloric Acid SCHEMBL28610081 0.82 PTGS1 (0.46) KCNH2IDH2
Hydrochloric Acid SCHEMBL28610079 0.82 PTGS1 (0.46) KCNH2IDH2
SCHEMBL20135640 0.81 SSTR2 (0.47) KCNH2SSTR2AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1603899-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004078749-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO disclosed
WO-2004024710-A1 UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-03-25 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ SMN1; SMN2 855/4885LMNA 2076/4885POLB 1994/4885

“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.