SCHEMBL5154487

SCHEMBL5154487

NC(=O)Nc1cc(F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.48
HDAC1 Q13547 2/20 0.47
KIF11 P52732 2/20 0.47
LMNA P02545 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 1/20 0.45
GRK2 P25098 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
Hydrochloric Acid SCHEMBL30705784 0.98 SMN1; SMN2 (0.54) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL30343207 0.84 KIF11 (0.65) SMN1; SMN2HTTMAPTALDH1A1POLB
SCHEMBL2367225 0.84 KIF11 (0.65) SMN1; SMN2HTTMAPTALDH1A1POLB
SCHEMBL4095276 0.83 POLB (0.44) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL27775431 0.82 GRIK1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL3871775 0.82 ALDH1A1 (0.52) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL15577575 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL2755845 0.81 MAPT (0.54) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL1426650 0.81 RAB9A (0.57) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL29373841 0.81 RAB9A (0.57) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP claimed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO claimed
EP-1373224-B1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2007-07-18 EP disclosed
EP-1801106-A2 New spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-7214676-B2 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY LLC (US) 2007-05-08 US disclosed
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PFIZER INC. 2007-03-01 US disclosed
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PFIZER INC 2004-10-28 US disclosed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed
EP-1373224-A1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS Warner-Lambert Company LLC (US) 2004-01-02 EP disclosed
US-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY LLC 2002-12-26 US disclosed
WO-2002074754-A1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-09-26 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 (3 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-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A SMN1; SMN2 3562/4885HTT 4512/4885MAPT 4626/4885
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A SMN1; SMN2 3562/4885HTT 4512/4885MAPT 4626/4885
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PDE3A, PDE4A, PDE5A SMN1; SMN2 3702/4885HTT 4610/4885MAPT 4628/4885

“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.