SCHEMBL1305247

SCHEMBL1305247

O=C1c2ccccc2C(=O)N1Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.33
MIF P14174 3/20 0.32
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TYR P14679 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RECQL P46063 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
AKR1B1 P15121 1/20 0.31
ACHE P22303 1/20 0.31
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1860093 0.87 PKM (0.38) SMN1; SMN2PKMTSHRKMT2A
SCHEMBL1860700 0.86 AKR1B1 (0.33) GRM5MIFMAPTSMN1; SMN2TYR
SCHEMBL12489682 0.85 KDM4E (0.39) MAPTSMN1; SMN2TYRPKMTSHR
SCHEMBL981067 0.84 MAPT (0.34) GRM5MIFMAPTSMN1; SMN2TYR
SCHEMBL981094 0.82 GRM5 (0.33) GRM5MIFMAPTALDH1A1RECQL
SCHEMBL1305787 0.82 CA1 (0.30)
SCHEMBL3757273 0.81 GRM5 (0.33) GRM5MAPTSMN1; SMN2TYRALDH1A1
SCHEMBL3110379 0.81
SCHEMBL3105354 0.81 RECQL (0.30) RECQL
SCHEMBL3649341 0.80

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
EP-2044075-B1 FURO [3, 2-B] PYRROL DERIVATIVES AMURA THERAPEUTICS LTD (GB) 2013-01-02 EP disclosed
EP-2046796-B1 TETRAHYDROFURO [3, 2 -B]PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-10-24 EP disclosed
US-8053452-B2 Substituted isoxazoline or enone oxime compound, and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
US-8053437-B2 Furo[3. 2-B] pyrrol derivatives AMURA THERAPEUTICS LIMITED (GB) 2011-11-08 US disclosed
US-20100216811-A1 FURO[3. 2-B] PYRROL DERIVATIVES AMURA THERAPEUTICS LIMITED (GB) 2010-08-26 US disclosed
US-20100144808-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-10 US disclosed
EP-2172448-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-04-07 EP disclosed
US-20090186906-A1 N-((S)-4,4-dimethyl-1-oxo-1-((3aS,6aR)-3-oxo-dihydro-2H-furo[3,2-b]pyrrol-4(5H6H, 6aH)-yl)pentan-2-yl)-4-(4-methylpiperazin-1-yl)benzamide; treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, bone cancer AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 US 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-20100216811-A1 FURO[3. 2-B] PYRROL DERIVATIVES THPO, COL2A1, COL1A1 GRM5 1535/4885MIF 393/4885MAPT 336/4885
US-20090186906-A1 N-((S)-4,4-dimethyl-1-oxo-1-((3aS,6aR)-3-oxo-dihydro-2H-furo[3,2-b]pyrrol-4(5H6H, 6aH)-yl)pentan-2-yl)-4-(4-methylpiperazin-1-yl)benzamide; treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, bone cancer COL2A1, COL1A1, PTMS GRM5 1452/4885MIF 1274/4885MAPT 889/4885
US-20100144808-A1 SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT MLYCD, MT-CO2, TRHDE GRM5 824/4885MIF 3249/4885MAPT 3491/4885

“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.