SCHEMBL2862455

SCHEMBL2862455

O=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.65
P4HA1 P13674 2/20 0.59
P4HTM Q9NXG6 1/20 0.59
PPARA Q07869 1/20 0.55
SRD5A2 P31213 2/20 0.54
CYP2C8 P10632 1/20 0.54
MAP4K4 O95819 1/20 0.53
NPC1 O15118 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
CES2 O00748 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
SCHEMBL2952064 0.90 LDHA (0.56) LDHAP4HA1P4HTMPPARASRD5A2
SCHEMBL27702481 0.89 RXFP1 (0.66) LDHAPPARASRD5A2CYP2C8MAP4K4
SCHEMBL8521766 0.86 LDHA (0.85) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL30116583 0.86 P2RY14 (0.58) LDHAPPARAMAP4K4NPC1RXFP1
SCHEMBL1758193 0.86 P2RY14 (0.58) LDHAPPARAMAP4K4NPC1RXFP1
SCHEMBL30753641 0.84 LDHA (0.81) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL28312333 0.84 LDHA (0.81) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL2267893 0.82 LMNA (0.53) PPARANPC1RXFP1SMN1; SMN2TRPV1
SCHEMBL2947695 0.81 NPC1 (0.75) LDHAP4HA1P4HTMMAP4K4NPC1
SCHEMBL27642540 0.81 SRD5A2 (0.55) PPARASRD5A2CYP2C8MAP4K4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 US disclosed
EP-1805141-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-07-11 EP disclosed
EP-1678123-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES Bayer HealthCare AG (DE) 2006-07-12 EP disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 WO disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 WO disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP LDHA 3318/4885P4HA1 114/4885P4HTM 983/4885
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 LDHA 1489/4885P4HA1 833/4885P4HTM 1178/4885

“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.