SCHEMBL5724830

SCHEMBL5724830

O=C(O)Cc1cccc(CNCc2ccc(-c3cncnc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
LMNA P02545 3/20 0.44
ABCC4 O15439 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 2/20 0.43
RORC P51449 1/20 0.41
VNN1 O95497 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC2A4 P14672 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MMP12 P39900 1/20 0.40
SRC P12931 1/20 0.40
ENPP2 Q13822 1/20 0.39

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
SCHEMBL5148966 0.80 ABCC4 (0.62) FFAR1LMNAABCC4GAATSHR
SCHEMBL5046698 0.79 HDAC1 (0.43) FFAR1HDAC1SCN8A
SCHEMBL5725458 0.76 CA12 (0.46) GAARORCALDH1A1
SCHEMBL27509045 0.73 TBXAS1 (0.52) FFAR1LMNAHDAC1
SCHEMBL5048113 0.72 SMN1; SMN2 (0.45) HTTHDAC1SCN8A
SCHEMBL13614270 0.72 GAA (0.61) GAAHDAC1ALDH1A1
SCHEMBL195675 0.72 CYP1A2 (0.58) LMNATSHRHDAC1ALDH1A1MMP12
SCHEMBL17832904 0.71 HRH4 (0.48) HDAC1SCN8A
SCHEMBL6874960 0.71 MMP12 (0.77) FFAR1LMNAABCC4GAATSHR
SCHEMBL70565 0.71 AKR1B1 (0.71) LMNAABCC4GAATSHRPTGS1

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
EP-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 EP disclosed
US-6998423-B2 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. (US) 2006-02-14 US disclosed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US disclosed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US disclosed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 US disclosed
US-6492412-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF SULFONAMIDE OR ALKANOY OR AMIDE DERIVATIVE CONTAINING HETERO OR AROMATIC RINGS TO TREAT OSTEOPOROSIS, OSTEOTOMY, CHILDHOOD IDIOPATHIC BOEN LOSS ETC. PFIZER, INC. 2002-12-10 US disclosed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 US disclosed
US-6344485-B1 Method for treating glaucoma PFIZER INC. 2002-02-05 US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 FFAR1 340/4885LMNA 705/4885ABCC4 4008/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 FFAR1 340/4885LMNA 705/4885ABCC4 4008/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 FFAR1 340/4885LMNA 705/4885ABCC4 4008/4885

“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.