SCHEMBL2157261

SCHEMBL2157261

CCOC(=O)C1CCCCN1C(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
FKBP1A P62942 12/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MTOR P42345 1/20 0.48
FKBP4 Q02790 1/20 0.48
FKBP5 Q13451 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7946476 0.86 ALDH1A1 (0.56) GAAFKBP1AALDH1A1KDM4EMEN1
SCHEMBL3456792 0.86 ALDH1A1 (0.58) FKBP1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL7585371 0.84 ALDH1A1 (0.65) GAAFKBP1AALDH1A1KDM4EMEN1
SCHEMBL2226633 0.83 MMP2 (0.52) GAAALDH1A1KMT2A
SCHEMBL10860840 0.83 GAA (0.59) GAAFKBP1AALDH1A1KDM4EMEN1
SCHEMBL10947045 0.82 GAA (0.58) GAAALDH1A1KDM4EKMT2A
SCHEMBL2157294 0.82 ALDH1A1 (0.47) GAAFKBP1AALDH1A1KDM4EMTOR
SCHEMBL7592715 0.82 ALDH1A1 (0.61) FKBP1AALDH1A1
SCHEMBL21715104 0.82 ALDH1A1 (0.63) FKBP1AALDH1A1MEN1KMT2A
SCHEMBL13468136 0.81 ALDH1A1 (0.60) FKBP1AALDH1A1MEN1KMT2A

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
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 WO disclosed
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US disclosed
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
US-4584297-A Pyrrolo[1,2-c]-1,3-thiazines RHONE-POULENC SANTE (FR) 1986-04-22 US disclosed
US-4546100-A Pyrrolo[1,2-c]thiazoles useful as antithrombotic agents RHONE-POULENC SANTE (FR) 1985-10-08 US disclosed
US-4539400-A Pyridin-3-yl substituted ortho-fused pyrrole derivatives RHONE-POULENC SANTE (FR) 1985-09-03 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 (2 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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 GAA 3174/4885FKBP1A 1140/4885ALDH1A1 74/4885
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 GAA 3684/4885FKBP1A 530/4885ALDH1A1 1762/4885

“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.