SCHEMBL4901882

SCHEMBL4901882

O=C=NCc1cccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
AKR1B1 P15121 1/20 0.38
P2RX7 Q99572 4/20 0.36
PNMT P11086 2/20 0.34
CD38 P28907 1/20 0.33
MPO P05164 1/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
IDO1 P14902 2/20 0.32
KAT2B Q92831 1/20 0.32
HTT P42858 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NOTUM Q6P988 1/20 0.31
PKM P14618 1/20 0.31
PTPN1 P18031 1/20 0.31
PYCR1 P32322 1/20 0.31

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
SCHEMBL2947684 0.82 MIF (0.46) GABRA1GABRB2AKR1B1PNMTMPO
SCHEMBL1648245 0.81 RIPK1 (0.39) GABRA1GABRB2AKR1B1P2RX7MPO
SCHEMBL1568684 0.81 PNMT (0.50) GABRA1GABRB2AKR1B1P2RX7PNMT
SCHEMBL325486 0.81 IDO1 (0.45) GABRA1GABRB2PNMTIDO1TAAR1
SCHEMBL19138738 0.80 GABRA1 (0.40) GABRA1GABRB2AKR1B1PNMTGAA
SCHEMBL11293938 0.75 GAA (0.51) GAAHTTTAAR1PKM
SCHEMBL29039918 0.75 AKR1B1 (0.42) GABRA1GABRB2AKR1B1GAATAAR1
SCHEMBL127043 0.74 GABRA1 (0.41) GABRA1GABRB2AKR1B1TAAR1
SCHEMBL29364508 0.74 GABRA1 (0.41) GABRA1GABRB2AKR1B1TAAR1
SCHEMBL6049 0.73 TAAR1 (0.43) IDO1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226142-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-10 US disclosed
US-20170226142-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-10 US disclosed
US-20170226142-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-10 US disclosed
US-9643986-B2 Factor D inhibitors useful for treating inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-9643986-B2 Factor D inhibitors useful for treating inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-9643986-B2 Factor D inhibitors useful for treating inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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-20150239837-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders CFD, TFPI, TFPI2 GABRA1 3703/4885GABRB2 3747/4885AKR1B1 2061/4885
US-20170226142-A1 Factor D Inhibitors Useful for Treating Inflammatory Disorders CFD, TFPI, TFPI2 GABRA1 3703/4885GABRB2 3747/4885AKR1B1 2061/4885
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A GABRA1 368/4885GABRB2 286/4885AKR1B1 336/4885

“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.