SCHEMBL2905035

SCHEMBL2905035

COc1ccc(N(Cc2cncs2)c2cccc(C(=O)O)c2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
MEP1B Q16820 2/20 0.44
MRGPRX4 Q96LA9 4/20 0.40
ACHE P22303 1/20 0.38
PPARA Q07869 2/20 0.38
LTC4S Q16873 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
MAPK14 Q16539 1/20 0.36
CTSL P07711 1/20 0.35

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
SCHEMBL16160308 0.92 ALDH1A1 (0.40) LMNAMAPK1HTTRAB9AMEP1B
SCHEMBL2902512 0.91 LMNA (0.48) LMNAMAPK1HTTRAB9AMEP1B
SCHEMBL2907453 0.88 TMPRSS15 (0.34) LMNAMAPK1HTTRAB9AMEP1B
SCHEMBL16160287 0.88 HRH4 (0.38) RAB9AACHE
SCHEMBL3129478 0.87 CTSL (0.37) HTTRAB9AMEP1BMRGPRX4LTC4S
SCHEMBL3123469 0.87 CTSL (0.37) HTTMEP1BMRGPRX4LTC4SCTSL
SCHEMBL3123721 0.87 TSHR (0.49) MAPK1RAB9AMRGPRX4LTC4S
SCHEMBL16160307 0.85 HTT (0.40) LMNAMAPK1HTTRAB9AACHE
SCHEMBL5400647 0.85 MKNK1 (0.41) LMNARAB9AMRGPRX4LTC4SMAPK14
SCHEMBL3214067 0.83 MRGPRX4 (0.42) LMNARAB9AMRGPRX4LTC4SMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007513957-A 2007-05-31 JP claimed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP claimed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US claimed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO claimed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 US disclosed
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B LMNA 2705/4885MAPK1 1430/4885HTT 4607/4885
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO LMNA 4266/4885MAPK1 3450/4885HTT 2269/4885

“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.