SCHEMBL4459265

SCHEMBL4459265

O/N=C(/Cc1ccc(F)cc1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LTA4H P09960 1/20 0.46
CTBP2 P56545 1/20 0.45
XDH P47989 2/20 0.43
TLR4 O00206 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRKACA P17612 1/20 0.38
ROCK1 Q13464 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4459267 1.00 L3MBTL1 (0.47) L3MBTL1KDM4ESMN1; SMN2LTA4HCTBP2
SCHEMBL5095734 1.00 L3MBTL1 (0.47) L3MBTL1KDM4ESMN1; SMN2LTA4HCTBP2
SCHEMBL6091876 0.93 SMN1; SMN2 (0.47) L3MBTL1KDM4ESMN1; SMN2LTA4HCTBP2
SCHEMBL6091878 0.93 SMN1; SMN2 (0.47) L3MBTL1KDM4ESMN1; SMN2LTA4HCTBP2
SCHEMBL23410797 0.93 SMN1; SMN2 (0.47) L3MBTL1KDM4ESMN1; SMN2LTA4HCTBP2
SCHEMBL7423263 0.87 SMN1; SMN2 (0.59) L3MBTL1KDM4ESMN1; SMN2CTBP2XDH
SCHEMBL8865628 0.87 SMN1; SMN2 (0.59) L3MBTL1KDM4ESMN1; SMN2CTBP2XDH
SCHEMBL2788935 0.85 L3MBTL1 (0.46) L3MBTL1KDM4ESMN1; SMN2LTA4HCTBP2
SCHEMBL28291535 0.82 CTBP2 (0.51) L3MBTL1KDM4ESMN1; SMN2CTBP2XDH
SCHEMBL9321485 0.82 GAA (0.50) KDM4ESMN1; SMN2CTBP2XDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE-GMBH (DE) 2006-10-19 US disclosed
US-20060128759-A1 Substituted isoxazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2006-06-15 US disclosed
EP-1539741-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-06-15 EP disclosed
EP-1506187-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-02-16 EP disclosed
WO-2004018458-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE-GMBH (DE) 2004-03-04 WO disclosed
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP disclosed
WO-2003097633-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2003-11-27 WO disclosed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US disclosed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP disclosed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 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 (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-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG L3MBTL1 2206/4885KDM4E 3785/4885SMN1; SMN2 4364/4885
US-20060128759-A1 Substituted isoxazole derivatives and their use in pharmaceutics IFNG, IRF3, IL2 L3MBTL1 4473/4885KDM4E 4044/4885SMN1; SMN2 4155/4885

“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.