SCHEMBL4016145

SCHEMBL4016145

O=C(NCCF)NC1CCCc2sccc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.48
CXCR2 P25025 3/20 0.47
EPHX2 P34913 4/20 0.45
ALDH1A1 P00352 1/20 0.38
DHODH Q02127 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL3727753 0.87 LMNA (0.61) LMNAHTTCXCR2EPHX2ALDH1A1
SCHEMBL11484018 0.84 LMNA (0.67) LMNAHTTCXCR2EPHX2ALDH1A1
SCHEMBL11485525 0.83 EPHX2 (0.60) LMNAHTTCXCR2EPHX2ALDH1A1
SCHEMBL11494597 0.83 LMNA (0.59) LMNAHTTCXCR2EPHX2EPHX1
SCHEMBL11527334 0.81 LMNA (0.60) LMNAHTTCXCR2EPHX2MEN1
SCHEMBL11524896 0.81 LMNA (0.63) LMNAHTTCXCR2EPHX2ALDH1A1
SCHEMBL11491710 0.81 LMNA (0.63) LMNAHTTCXCR2EPHX2ALDH1A1
SCHEMBL11490644 0.81 LMNA (0.70) LMNAHTTCXCR2ALDH1A1MEN1
SCHEMBL11747180 0.81 LMNA (0.74) LMNAHTTCXCR2EPHX2ALDH1A1
SCHEMBL11483283 0.80 LMNA (0.58) LMNAHTTCXCR2EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US claimed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US claimed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C LMNA 1869/4885HTT 3760/4885CXCR2 2650/4885

“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.