SCHEMBL411852

SCHEMBL411852

O=C(CBr)CCc1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.42
MMP12 P39900 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 2/20 0.39
KEAP1 Q14145 1/20 0.38
IAPP P10997 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL410494 0.82 FFAR1 (0.49) F2RL1MMP12FFAR1
SCHEMBL2547138 0.80 PLAAT3 (0.49) FFAR1
SCHEMBL14044086 0.80 GFER (0.50) F2RL1MMP12TDP1L3MBTL1FFAR1
SCHEMBL10247190 0.80 L3MBTL1 (0.61) F2RL1TDP1L3MBTL1FFAR1IAPP
SCHEMBL410703 0.80 FFAR1 (0.51) F2RL1FFAR1
SCHEMBL191218 0.79 KEAP1 (0.61) MMP12TDP1L3MBTL1FFAR1KEAP1
SCHEMBL559059 0.79 TPMT (0.38)
SCHEMBL1007160 0.77 FFAR1 (0.65) L3MBTL1FFAR1KEAP1
SCHEMBL9216095 0.76 F2RL1 (0.74) F2RL1FFAR1
SCHEMBL408215 0.76 PTPN1 (0.53) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
EP-2173740-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM Osta Biotechnologies (CA) 2010-04-14 EP disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 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 (4 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 F2RL1 3639/4885MMP12 686/4885TDP1 360/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 F2RL1 4001/4885MMP12 744/4885TDP1 679/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 F2RL1 4001/4885MMP12 744/4885TDP1 679/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 F2RL1 4014/4885MMP12 631/4885TDP1 768/4885

“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.