SCHEMBL4586342

SCHEMBL4586342

ON=C(Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CTBP2 P56545 2/20 0.47
MGLL Q99685 3/20 0.47
RAB9A P51151 3/20 0.44
CTSL P07711 1/20 0.44
XDH P47989 1/20 0.43
NPC1 O15118 2/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
DRD4 P21917 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL4586337 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EL3MBTL1CTBP2
SCHEMBL28291535 0.93 CTBP2 (0.51) ALDH1A1SMN1; SMN2KDM4EL3MBTL1CTBP2
SCHEMBL7423263 0.90 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KDM4EL3MBTL1CTBP2
SCHEMBL8865628 0.90 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KDM4EL3MBTL1CTBP2
SCHEMBL4586154 0.86 CTSL (0.55) SMN1; SMN2KDM4ECTBP2MGLLCTSL
SCHEMBL257218 0.86 CTSL (0.55) SMN1; SMN2KDM4ECTBP2MGLLCTSL
SCHEMBL4586157 0.86 CTSL (0.55) SMN1; SMN2KDM4ECTBP2MGLLCTSL
SCHEMBL6722094 0.84 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4ECTBP2MGLL
SCHEMBL6725579 0.84 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4ECTBP2MGLL
SCHEMBL6168321 0.84 MGLL (0.49) ALDH1A1SMN1; SMN2KDM4EL3MBTL1CTBP2

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
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
US-6967213-B2 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2005-11-22 US disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 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-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CYP3A5, CYP2C9, CYP2C19 ALDH1A1 166/4885SMN1; SMN2 3366/4885KDM4E 2784/4885

“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.